Ch1-Mo Dau & Cau Tao Vat Chat

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    CCC PHNG PHC PHNG PHP VP VT LT LPHN TPHN TCH CCH CU TRU TRC VC VT RT RNN

    TRONG KHOA HTRONG KHOA HC VC VT LIT LIUU

    Dr. NGUYEN ANH TUAN

    HANOI-2007

    HANOI UNIVERSITY OF TECHNOLOGY

    INTERNATIONAL TRAINING INSTITUTE FOR MATERIALS SCIENCE

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    MCCH MN HC

    1. V mt l thuyt: Nm c cc nguyn l cbn ca mt sphng php/k thut vt l thng dng trong vic phn tch cu trc

    bn trong v b mt ca cc vt rn, cng nhmng mng cht rn

    trong Khoa hc Vt liu, gm 4 nhm phng php:

    + Cc phng php trn cs nhiu x (XRD, ED, ND)+ Cc phng php hin vi hin vi in t(TEM, STEM, SEM)

    + Cc phng phpphn tch ph (Auger, EPMA, XRF, XPS, EELS,...)

    + Cc hin vi u d qut(SPM: AFM, MFM, STM, SNOM,...)

    2. V mt thc hnh: Nm c mt s knng thc hnh, k thut

    phn tch cc yu t/thng scbn ca cu trc vt rn thy

    c nhng ng dng thng dng ca cc phng php / k thutnu trn. Nm c cc u nhc im v phm vi/gii hn ca

    tng phng php phn tch. Bc u c th p dng thc t trong

    vic phn tch mu cht rn / vt liu.

    NATuan-ITIMS-2007

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    NI DUNG BI GING

    CHNG 1: CU TRC CA VT RN1.1. Cu trc nguyn t.

    1.2. Cht rn v cc lin kt trong cht rn.

    1.3. Cu trc tinh th ca cht rn - Mng tinh th v i xng tinh th.

    1.4. Cu trc vt rn v nh hnh.

    CHNG 2: CC PHNG PHP NHIU X

    2.1. Cs ca nhiu x - L thuyt tng qut.

    2.2. Nhiu x tia X (XRD).2.3. Nhiu xin t (ED).

    2.4. Nhiu xntron (ND).

    CHNG 3: CC PHNG PHP HIN VI

    3.1. Cs ca HV - Hin vi quang hc (OM).

    3.2. Hin vi in t truyn qua (TEM).

    3.3. Hin vi in t qut (SEM).

    3.4. Cc loi hin vi khc (hin vi laze ng tiu, hin vi tia X, hin vi ntron, ...).

    NATuan-ITIMS-2007

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    NI DUNG BI GING

    CHNG 4: CC PHNG PHP PHN TCH PH4.1. Gii thiu.4.2. Cc phng php phn tch phin t.

    4.3. Cc phng php phn tch ph ion.

    4.4. Cc phng php phn tch khi ph.

    CHNG 5: CC PHNG PHP HIN VIU D QUT (SPM)

    5.1. Hin vi lc nguyn t (AFM).

    5.2. Hin vi u d qut hiu ng xuyn ngm (STM).

    5.3. Hin vi lc t (MFM).5.4. Hin vi quang hc qut trng gn (SNOM).

    5.5. Mt s loi hin vi u d qut (SPM) c bit khc.

    CHNG 6: CC BI THC HNH

    6.1. Phn tch cu trc n tinh th bng nhiu x Lauer.

    6.2. Phn tch cu trc a tinh th bng phng php nhiu x bt.

    6.3. Phn tch pha nh tnh, nh lng.

    6.4. Quan st hnh thi/cu trc b mt bng hin vi in t qut.

    6.5. Quan st hnh thi/cu trc b mt bng hin vi lc nguyn t.NATuan-ITIMS-2007

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    1. Materials science and technology, Ed. by R.W. Cahn, P. Haasen and E.J.Kramer, Vol. 1&2 A & B, VCH Weinheim, 1993.2. Elemen of X-ray diffraction, B.D. Culity and S.R. Stock; Prentice Hall, 2001.3. Diffraction for Materials Scientists by J.M. Schultz, Prentice-Hall, Inc.,

    Englewood Cliffs, New Jersey 1982.

    4. Electron Microscopy in Material Science ed. by U. Valdr; Academic PressInc., New York and London 1971.

    5. Fundamental of surface and thin film analysis , L.C. Feldman and J.W.Mayer, North Holland, Amsterdam, 1986.

    6. Electron Microscopy of thin crystals , P.B. Hirsch, London, 1965.7. Scanning tunneling microscopy and related methods, NATO ASI series E,Vol. 184, 1990.

    8. Electron Scattering and Related Spectroscopies, by M. De Crescenzi andM.N. Piancastelli; World Scientific Publishing Co. Pte. Ltd. 1996.

    9. Analytical Techniques for Thin films Ed. by K.N. Tu and R. Rosenberg(Treatise on Materials Science and Technology, Vol. 27); Academic Press, Inc.;Hardcourt Brace Jovanovich, Publishers, 1988.

    10. Practical surface analysis 2nd ed. by David I. Briggs, John Wiley & Sons

    1996.

    TI LIU THAM KHO CHNH

    NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    1.1. Cu trc nguyn t

    1.1.1. Cu to nguyn t1.1.2. Phn bin t trong nguyn t

    1.1.3. Bng tun hon cc nguyn t ha hc

    1.2. Cht rn v cc lin kt trong cht rn

    1.3. Cu trc tinh th ca cht rn - Mng tinh th v i

    xng tinh th1.4. Cu trc vt rn v nh hnh.

    NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    1.1.1. Cu to nguyn t Nguyn t: ht nhn (p & n) + e-

    in tch: |e| = 1.6 x 10-19C Khi lng: mp mn ~ 1.67 x 10

    -27 kg

    (~ 1.67 x 10-24

    g); me ~ 9.11 x 10-31

    kg. SS nguyn tnguyn t: Z= sp trong ht nhn./v nguyn ttrung ha in, Z= sin t. Z ca cc nguyn t trong bng tun hon: t 1 (H) - 94 (Pu).

    KhKhi li lng nguyn tng nguyn t: A = mp + mn/v mt nguyn tcho trc: s proton l nhnhau cho cc ng.t,

    nhng s neutron (N) c th khc nhau cc ng v khc nhau.A Z + N

    n vn v khkhi li lng nguyn tng nguyn t ((amuamu)): Khi lng mi proton (hay ntron) l ~ 1.67 x 10-24g, c quy c l

    n vkhi lng ca nguyn t. Khi lng nguyn tcarbon ng v l 12 (6 proton & 6 ntron), (12C),ngha l: A = 12 amu. Nhvy 1 amu = 1/12 .

    Nhvy c 0.6023 x 1024 amu/g S Avogadro l sproton (hay ntron) cn thit to ra mt khi lng l 1 gram.

    hay l s nguyn t/phn t c trong 1 mol cht.NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    Mu nguyn t Bohr(Mu hnh tinh)

    Mu nguyn ttheo chc sng(so snh vi mu Bohr)

    Xc sut1

    m my

    in t

    0Khong cchn ht nhn

    in tquo Ht nhn

    1.1.2. Phn bin t trong nguyn t

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    l= 0 l= 1 l= 2

    Cc slng t ca in t trong nguyn t:n: Slng t chnh (n = 1, 2, 3, ...), m t kch thc ca quo (hay m my

    phn b mt in t: n = 2 > n = 1) v biu th gin tip nng lng ca cc qu

    o in t.

    l: Slng t gc (l= 0, 1, ... n -1), m t hnh dng ca quo: vi l= 0 hnhcu; l= 1 hnh cc (hnh qu t); l= 2 hnh l ch; v.v... Vi l = 0 chc mt

    cch nh hng duy nht trong khng gian (hnh cu); vi cc trng hp l 0

    cn c nhng hng khc nhau trong khng gian.

    m: Slng t t (m = - l, - (l+ 1), ..., (l+ 1), l), m t snh hng trong khnggian ca mi quo in t ring bit (cn k hiu l ml).

    s: Slgn t spin (s = - 1/2; +1/2), m t snh hng spin ca in t trn mi

    quo (cn k hiu l ms).

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    ....

    p orbitals orbital

    pzorbitalpyorbitalpxorbital

    dz2orbitaldx2-y2orbitaldyzorbitaldxzorbitaldxyorbital

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    n=3, l=2, m=0n=2, l=1, m=1n=2, l=1, m=0

    n=1, l=0, m=0 n=3, l=2, m=1 n=3, l=2, m=2 n=4, l=2, m=2

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    Mt s dng m my mt in t phn btrong khng gian3D tng ng vi cc t hp khc nhau ca cc slng t

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    pL2

    72P6

    50O5

    32N4

    18M3s

    8s

    2sK1

    Sintti a

    cha

    trongnguyn

    t

    Cc lpquo

    con

    (ng vicc lkhcnhau)

    K hiu

    lp vquo

    chnh

    Mc nnglng

    (Slng

    tchnh)(n)

    Electron Capacity = 2n2

    : K

    : L

    : M

    : N

    : O

    : P

    K hiu cc lp vin t v sin t ti a cha trong mt nguyn t

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    1.1.3. Bng tun hon cc nguyn t ha hc

    - Nguyn l AUFBAU (tingc, c ngha l BUILDUP trong ting Anh): th hin cch xy

    dng bng tun hon cc nguyn t ha hc, da vo cch sp xp cc in tnhth

    no trong cc nguyn t.

    - C 2 nguyn tc c tun theo:

    + Quy tc Hund

    Cc in tc in vo cc quo theo nguyn tc ln lt t cc

    mc nng lng thp nht c th.

    + Nguyn l loi trPauli

    Hai in t khng th cng chim gi mt trng thi nng lng (ng vi cngmt b cc slng t)

    H 1 electron 1s1

    He 2 electrons 1s2

    Li 3 electrons 1s2

    2s1

    O 8 electrons 1s22s22p4

    Ne 10 electrons 1s22s22p6

    Na 11 electrons 1s22s22p63s1

    Ar 18 electrons 1s22s22p63s23p6

    K 19 electrons 1s22s22p63s23p64s1

    Ca 20 electrons 1s22s22p63s23p64s2

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    CHNG 1: CU TRC CA VT RN

    [Ne] 3s2 3p6 = [Ar]Ar18

    [Ne] 3s2 3p5Cl17

    [Ne] 3s2 3p4S16

    [Ne] 3s2 3p3P15

    [Ne] 3s2 3p2Si14[Ne] 3s2 3p1Al13

    [Ne] 3s2Mg12

    [Ne] 3s1Na11

    [He] 2s2 2p6 = [Ne]Ne10

    [He] 2s2 2p5F9[He] 2s2 2p4O8

    [He] 2s2 2p3N7

    [He] 2s2 2p2C6

    [He] 2s2 2p1B5

    [He] 2s2Be4[He] 2s1Li3

    1s2 = [He]He2

    1s1H1

    Electron ConfigurationSymbolAtomicNumber

    NATuan-ITIMS-2007

    [Ar] 4s2 3d10 4p6 = [Kr]Kr36

    [Ar] 4s2 3d10 4p5Br35

    [Ar] 4s2 3d10 4p4Se34

    [Ar] 4s2 3d10 4p3As33

    [Ar] 4s2 3d10 4p2Ge32[Ar] 4s2 3d10 4p1Ga31

    [Ar] 4s2 3d10Zn30

    [Ar] 4s1 3d10Cu29

    [Ar] 4s2 3d8Ni28

    [Ar] 4s2 3d7Co27[Ar] 4s2 3d6Fe26

    [Ar] 4s2 3d5Mn25

    [Ar] 4s1 3d5Cr24

    [Ar] 4s2 3d3V23

    [Ar] 4s2 3d2Ti22[Ar] 4s2 3d1Sc21

    [Ar] 4s2Ca20

    [Ar] 4s1K19

    Electron ConfigurationSymbolAtomicNumber

    The Electron Configurations of the Elements

    (1st, 2nd, 3rd, and 4th Row Elements)

    THE AUFBAU

    PRINCIPLE

    THE PERIODIC

    TABLE

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    CHNG 1: CU TRC CA VT RN

    mm

    NATuan-ITIMS-2007

    118Uuo

    117Uus

    116Uuh

    115Uup

    114Uuq

    113Uut

    112Uub

    111Rg

    110Ds

    109Mt

    108Hs

    107Bh

    106Sg

    105Db

    104Rf2

    142-

    103Lr214-1

    102No2

    14--

    101Md2

    13--

    100Fm212--

    99Es2

    11--

    98Cf2

    10--

    97Bk29--

    96Cm271-

    95Am

    27--

    94Pu26--

    93Np241-

    92U231-

    91Pa221-

    90Th2-2-

    89Ac

    2-1-

    88Ra2---

    87Fr1---

    [Rn]+

    7s:5f:6d:7p:

    86Rn2

    14106

    85At2

    14105

    84Po2

    14104

    83Bi2

    14103

    82Pb214102

    81Tl2

    14101

    80Hg2

    1410-

    79Au

    11410-

    78Pt1

    149-

    77Ir2147-

    76Os2146-

    75Re2

    145-

    74W2144-

    73Ta2143-

    72Hf2

    142-

    71Lu2141-

    70Yb2

    14--

    69Tm2

    13--

    68Er212--

    67Ho2

    11--

    66Dy2

    10--

    65Tb29--

    64Gd271-

    63Eu27--

    62Sm26--

    61Pm25--

    60Nd24--

    59Pr23--

    58Ce211-

    57La2-1-

    56Ba2---

    55Cs1---

    [Xe]+

    6s:4f:5d:6p:

    54Xe2

    106

    53I2

    105

    52Te2

    104

    51Sb2

    103

    50Sn2102

    49In2

    101

    48Cd2

    10-

    47Ag

    110-

    46Pd-

    10-

    45Rh18-

    44Ru17-

    43Tc25-

    42Mo15-

    41Nb14-

    40Zr22-

    39Y21-

    38Sr2--

    37Rb1--

    [Kr]+

    5s:4d:5p:

    36Kr2

    106

    35Br2

    105

    34Se2

    104

    33As

    2103

    32Ge2102

    31Ga2

    101

    30Zn2

    10-

    29Cu110-

    28Ni28-

    27Co27-

    26Fe26-

    25Mn25-

    24Cr15-

    23V23-

    22Ti22-

    21Sc21-

    20Ca2--

    19K1--

    [Ar]+

    4s:3d:4p:

    18Ar26

    17Cl25

    16S24

    15P23

    14Si22

    13Al21

    12Mg2-

    11Na1-

    [Ne]+

    3s:3p:

    10Ne2

    6

    9F2

    5

    8O2

    4

    7N2

    3

    6C2

    2

    5B2

    1

    4Be2

    -

    3Li1

    -

    [He]+

    2s:

    2p:

    2He2

    1H11s:

    Electron configurations of the neutral gaseous atoms in the ground state

    THE PERIODIC TABLE OF THE ELEMENTS

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    CHNG 1: CU TRC CA VT RN

    1.1. Cu trc nguyn t

    1.2. Cht rn v cc lin kt trong cht rn

    1.2.1. Mu

    1.2.2. Cc lin kt trong cht rn1.3. Cu trc tinh th ca cht rn - Mng tinh th v i

    xng tinh th

    1.4. Cu trc vt rn v nh hnh.

    NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    1.2.1. Mu+ Cht rn l mt trng thi ca vt cht mt s ln cc nguyn t(~1023/cm3) lin kt ha hc bn vng vi nhau to ra khi kt tc(ng rn/ ngng t).

    + Bn cht cc lc lin kt l lc tnh in; tng tc t tnh rt yu; tngtc hp dn coi nhkhng c.

    + Bn cht ca lin kt ph thuc vo cu trc in t ca nguyn t.

    + Trng thi in t ca nguyn t c ththu c tchc hc lng t:

    Phng trnh Schrodinger trong trng xuyn tm.+ Dng ca lc lin kt quy nh dng ca cht rn v tnh chttng ng.

    + Cc dng thnng tng tcng vai tr chnh trong cc dng lin ktcc nguyn t.

    + Nng lng lin kt tiu biu: ~ 1 - 400 kcal/mol(tng tc t tnh ~1kcal/mol, tng tc hp dn ~ 10-27 kcal/mol).

    + Da trn cs cch sp xp cc nguyn t, c th chia CR lm 3 loi:

    CR tinh th, CR a tinh th, vCR v nh hnh (c th c dng t hp).NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    S lin kt gia cc nguyn t hnh thnh nn cht rn v cu trc tinh th

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    CHNG 1: CU TRC CA VT RN

    1.2.2. Cc lin kt trong cht rn

    Lin kt ion

    Lin kt cng ha tr

    Lin kt kim loi Lin kt hydro

    Lin kt Van der Waals

    Xem thm v cc kiu lin kt ny trong Solid State Physics caAshcroft and Mermine

    NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    1.1. Cu trc nguyn t

    1.2. Cht rn v cc lin kt trong cht rn

    1.3. Cu trc tinh th ca cht rn - Mng tinh th v i

    xng tinh th

    1.4. Cu trc vt rn v nh hnh.

    NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    1.3.1. Cu trc tinh th

    NATuan-ITIMS-2007

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    CHNG 1: CU TRC CA VT RN

    Trc tinh th:

    n v:

    NATuan-ITIMS-2007

    Cc vec-tn v:

    a theo trc x;

    b theo trc y;c theo trc z.

    n vc xc lp

    theo cc vec tn va, b, c.

    Vectcs:

    r* = a + b + c

    r*

    Mt th tch khng gian m

    khi tnh tin theo tt c cc

    vecttrong mt mng

    Bravais, phi lp y hon

    ton khng gian m khng,

    hoc trng vi chnh n,

    hoc li ch trng.

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    Vic la chn cc nguyn thy:

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    Trng hp mng 2-D

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    Trng hp mng 3-D

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    Vic la chn cc nguyn thy:

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    C 7 LOI MNG TINH TH:

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    LP PHNG

    T GICTRC THOIMT NGHINGBA NGHING

    LC GICTHOI

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    .....

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    LP PHNG

    T GIC

    TRC THOI

    N T

    TAM T

    LC GIC

    THOI

    Bc ca i xng

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    .....

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    16D4h

    8D4

    8C4v

    8D2d

    8C4h

    4S4

    4C4

    a=b c

    = = = /2Tetragonal

    8D2h

    4D2

    4C2va b c

    = = = /2Orthorhombic

    4C2h

    2C2

    2Cs (C1h)

    a b c= = /2

    Monoclinic

    2Ci

    1C1a b cTriclinic

    Orthographic

    projection

    OrderPoint

    Groups

    Conditions

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    .....

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    48Oh

    24O

    24Td

    24Th

    12T

    a = b = c

    = = = /2Cubic*

    24D6h

    12D6

    12C6v

    12D3h

    12C6h

    6C6

    6C3h

    a = b c

    = = /2,

    =2 /3Hexagonal

    12D3d

    6D3

    6C3v

    6S6

    3C3

    a = b = c

    = < 2 /3,/2

    Trigonal

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    CHNG 1: CU TRC CA VT RN

    14 mng khng gian - Mng Bravais

    NATuan-ITIMS-2007

    face-centeredbody-centeredbase-centeredsimple

    orthorhombic(trc thoi)

    base-centeredsimple

    monoclinic(n t)

    triclinic(tam t)

    LatticesCrystal system

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    face-centeredbody-centeredsimple

    cubic(isometric)

    body-centeredsimple

    tetragonal(trc thoi)

    rhombohedral(trigonal)(thoi)

    hexagonal(Lc gic)

    LatticesCrystal system

    CHNG 1 CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    nguyn thy ca mng

    trc thoi tm y:

    nguyn thy ca mng

    trc thoi n:

    CHNG 1 CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    nguyn thy ca mngtrc thoi tm khi:

    nguyn thy ca mng

    trc thoi tm mt:

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    CHNG 1: CU TRC CA VT RN

    nguyn thy Wigner-Seitz:

    Wigner-Seitz l vng khng gian bao quanh mt nt mng m vng gn nt mng ny hn bt k nt mng no khc.

    Hay: L qu tch cc im trong mt khng gian bao quanh mt nt mng no

    v gn n hn bt k nt mng no khc.

    NATuan-ITIMS-2007

    Cch xy dng WS

    - Xc nh nt mng.- Chn nt gc (s l tm ca WS).- Ni nt gc vi tt c cc nt ln cn gn nht.- V cc mt trung trc ca cc on ni giacc nt.- Khng gian c th tch nh nht gii hn bi

    cc mt trung trc bao quanh nt gc l WS.

    WS trong trng hp mng 2-D

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    Bi tp: Xc nh Wigner-Seitz ca 2 mng di y

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    CHNG 1: CU TRC CA VT RN

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    WS trong trng hp mng 3-D

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    - Mi mng Bravais c t nht 1 Wigner-Seitz.

    Nu tnh n t l cc trc, c 24 dng khc nhau ca WS.

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    S lp y khng gian bi WS

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    - WS tng t mt vin gch hoa- S lp y khng gian bi WStng tnhvic lt nn bng nhngvin gch hoa

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    - Mt im bt k trong mng tinh th

    khng nm cc v tr nt mng:r = (n + u)a + (p + v)b + (q + w)c

    n, p, q l s nguyn;

    u; v; w l s khng nguyn

    r = (n a +p b + q c) (r')+ (u a + v b + w c) (r')

    = r' + r'

    r' = vectnt mngr' = vectxut pht t nt mng

    r (nh ca vectr)

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    121

    112

    x

    y

    z

    000

    100 110

    010

    001

    111

    - Nt mng:

    r = ua + vb + wc ; trong u, v, w l nhng s nguyn

    rR

    r*

    c

    a

    b

    u = 1, v = 1, w = 2

    r = a + b + 2c

    = r* + R = r* + c

    Vectxc nh v tr bt k ca mt im trong mng tinh th bng tng ca vectgc cho ca

    mt n v vi vectxut pht tnh gc cho

    ti mt im bn trong n v v tr u v w

    i vi nh gc cho ca n v)

    000

    0-1

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    BBi ti tpp: Xc nh v tr cc nt mng

    Hy xc nh cc v tr nt mng ca cc mng Bravais fcc(facecentered cubic) v fco (face centered orthorhombic).

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    000

    100a

    y

    z

    010

    b

    0

    00

    001c

    x110

    00

    111

    - V tr cc nt mng cc gc l: 000, 100, 010, 001, 110, 101, 011, v 111.

    - V tr cc nt mng tm mt l: 0, 0, 0, 1, 1, 1.

    Cc mng Bravais fccgm:

    Cc mng Bravais fco gm:

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    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    Hng tinh th:

    - Mt hng bt k mtng song song vi n i qua gc mng, sau gn ta ca im bt ktrn ng i qua gc mng . Tt c cc hng tinh th c

    th quy v cc hng trong mt n v vi gc c gn nh nt mng.

    - Xt mt im bt k v tr u'v'w'(khngnht thit phi l s nguyn) trn ng t

    i qua gc ta . ng t si qua tt

    c cc im c ta 2u'2v'2w', 3u'3v'3w',

    4u'4v'4w',....

    - Bt k gi tr no ca u' v' w'u c th chuyn thnh mt b gm cc s nguyn nh

    nht bng cch nhn hoc chia lin tc cho cng mt s. V d, nhvy [1], [112],

    [224], [448] u chth cng mt hng tinh th. Nhng ngi ta quy c chn b s

    gm nhng s nguyn nh nht (nt mng), nhl [112] chhng tinh th ny.

    - K hiu [u v w] chhng tinh th hc

    ca ng t. Tt c cc ng song song

    vi ng ny u c cng chshng

    vi ng t ny.

    x

    y

    z

    000

    100 110

    010

    001

    111

    b

    c

    a

    011

    101

    u'v'w'

    t

    3u'3v'3w'

    2u'2v'2w'

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    Nguyn tc xc nh hng tinh th :

    Trc tinh th: x y z

    Vectn v: a b c

    Cc hnh chiu: u'a v'b w'c (to ct cc trc)H s h. chiu: u' v' w'

    Rt gn: xn u v w

    Chshng: [uvw]

    CHNG 1: CU TRC CA VT RN

    NATuan-ITIMS-2007

    Cc hnh chiu: a/3 -1b 0c

    H s h. chiu: 1/3 -1 0

    Rt gn: x 3 1 -3 0

    Chshng: [130]

    x

    y

    z

    000

    100 110

    010

    001

    111

    b

    c

    a

    011

    101

    V d:

    Ct a 1/3

    Ct b -1

    Ct c 0

    [130]

    CHNG 1: CU TRC CA VT RN

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    NATuan-ITIMS-2007

    Mt shng tinh th quan trng:

    x

    y

    z

    000

    100 110

    010

    001

    111

    b

    c

    a

    011

    101

    [110]

    [101]

    [011]

    [111]

    [100]

    [010]

    [001]

    [210]

    [120]

    [201]

    10

    10

    10

    0101

    11

    11

    01

    [221]

    [021]

    [012]

    [212]

    [102]

    Gc to bi hai hng tinh th:

    Chi vi cc h lp phng: r.r = |r||r'| cos

    r = ua + vb + wc r = u a + v b + w c

    222222

    )'()'()'(

    '''cos

    wvuwvu

    wwvvuu

    ++++

    ++==

    r'r

    r.r'

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    x

    y

    z

    000

    100 110

    010

    001

    111

    b

    c

    a

    011

    101

    V d mt shng c chs m

    NATuan-ITIMS-2007

    - Cc hng c ch s m: V d, k hiu l [u v w] hay [u -v w].

    c

    -b

    a

    [u v w]

    - c

    b

    a

    [u v w]

    c

    b

    - a

    [u v w]

    - c

    -b

    - a

    [u v w]

    [-100]

    [0-10]

    [00-1]

    [110]

    [111]

    [111]

    d dng xc nh cc hng c chs m, cn thit lp bvectn v (xc

    nh cs) thch hp, nhng ta no m, trc ca vectcstng

    ng cn i chiu ngc li.

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    10

    NATuan-ITIMS-2007

    BBi ti tpp: Xc nh hng trong mng tinh th

    Hy xc nh cc hng mng sau y: [123], [-120], [1-4-2] v [-1-3-4].(chv trong gii hn cs)

    1- Dng n v.

    0

    1

    2- Vi b ta [u v w] cho (v d [123]),

    xc nh s nguyn c gi tr tuyt i lnnht trong b ta (v d 3) - Chia c

    ba s cho 3 [123] tr thnh [1].3- Xc nh im 00;

    7- Ni gc 000 vi im 1 c hng [123].

    4- Xc nh im 00;5- Xc nh c im 0;

    6- Tnh tin im 0 theo chiu trc c mton 1 n v c im 1.

    Vi cch lm tng t, ta c cc hng [-120], [1-4-2], [-1-3-4].

    Lu : trong trng hp c chs m, cn xoay h ta ca n v mt

    cch thch hp xc nh cc ta trong phm vi mt cs.

    000

    -a

    b[-120]

    000

    a

    -b

    c

    [1-42]1

    000

    -a

    -b

    -c1

    [-1-3-4]

    000

    a

    b

    c

    00

    00

    CHNG 1: CU TRC CA VT RN

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    Hng ca mt lp (hnh thi) - H ca hng:

    - l cc hng lin quan n tnh i xng ca chng.

    - Quy c chn mt trong cc hng i din cho mt tp hp cc

    hng c tnh cht nhvy v k hiu bng du ...: uuu i dincho mt h gm cc hng [uuu], [-uuu], [u-uu], [uu-u], [-u-uu], [-u-u-u]...

    NATuan-ITIMS-2007[1-1-1]

    [1-11]

    000

    a

    b

    c

    V d: 111i din cho mt h cc

    hng ng cho trong mng lp

    phng: [111], [1-11], [-1-11], [-1-1-1],...

    [111]

    [-1-11][-111]

    [11-1]

    [-11-1][-1-1-1]

    Nhn xt: Cc hng ngc nhau c cc

    chs ta i du nhau. [111] >< [-1-1-1].

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    Xc nh cc mt phng trong mng tinh th - Ch s Miller:

    - Quy nh s dng h thng chs Miller tinh th hc ca Anh

    - Hng ca cc mt phng mng c gn vi cc trc tinh th hc;

    - Vic xc nh mt mt phng mng c da trn cc khong cch thc(tnh t gc mng) m n ct 3 trc tinh th: lnhng on ct ca cc

    trc: a/h; b/k; c/l.

    NATuan-ITIMS-2007

    c

    b

    a0a/h

    c/l

    b/k

    (hkl)

    - Chs Miller xc nh mt mt phng l b s nghch o ca cc phn

    on 1/h; 1/k; 1/l, ngha l h; k; l, v c vit trong ngoc n (h k l).

    Nguyn tc xc nh hng tinh th :

    Trc tinh th: x y z

    Vectn v: a b cCc hnh chiu: a/h b/k c/l

    H s h. chiu: 1/h 1/k 1/l

    Nghch o: h k l

    Chshng: (hkl)

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    NATuan-ITIMS-2007

    0

    c

    0 1 2 3 4

    b

    a

    (421)

    02

    46 8

    1

    2

    3

    V d:

    di cc trc: 4 8 3

    di cc on ct: 1 4 3Phn s cc on ct: 1/4 1/2 1

    Cc chs Miller: 4 2 1

    Lu : - Khi mt phng ct cc trc pha m, cc chMiller tng ng

    cng l cc s m. K hiu l, v d: (h k l), (h k l), hoc dng du "-".

    - Trng hp cc mt phng khng ct mt trc no , ngha l

    song song vi trc , hoc cha trc

    c coi l ct nhau

    Phn on tng ng s l 1/ Trong trng hp ny quy

    c chs Miller l 0.

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    Ct -1b

    Ct c

    Ct a

    NATuan-ITIMS-2007

    Bi tp: Xc nh chs Miller ca cc mt phng trong hnh di y:

    a) Mt mu vng:

    - Cc on ct: a, 1b , c- Cc phn on: , 1, - Nghch o: 2 1 0- Chs Miller (hkl): (210)

    0

    c

    b

    a

    (210)

    b) Mt mu hng:- Cc on ct: a , -1b, c- Cc phn on: , -1 , - Nghch o: 2 -1 0

    - Chs Miller (hkl): (210)c) Mt mu xanh:- Cc on ct: 1a, b, 2c- Cc phn on: 1, , 2- Nghch o: 1, 0, 1/2 2 , 0, 1

    - Chs Miller (hkl): (201)

    Tr li

    (201)

    (210)

    Ct 2c

    Ct b Ct a 1

    Ct a

    Ct 1b

    Ct c

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    NATuan-ITIMS-2007

    Mt s mt phng quan trng nht ca mng tinh th

    Nhn xt:

    Trong h lp phng, [uvw]chnh l vectphp tuyn

    ca mt (hkl)

    Lu :i vi cc h khc

    iu ny khng ng.

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    NATuan-ITIMS-2007

    Cc mt phng quan trng tng ng khc

    H mt phng {100}

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    H mt phng {110}

    NATuan-ITIMS-2007

    CHNG 1: CU TRC CA VT RN

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    NATuan-ITIMS-2007

    Cc mt mng song song

    - Cc mt phng (nh nk nl) song song vi mt (h k l) v cch nhau

    mt khong d= 1/n.

    (200)

    (100)

    d200d100

    a

    c

    b

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    Lu :

    - Tp hp cc mt song song khc nhau trong mng c cc khong cchdgia cc mt khc nhau: Cc mt c khong cch cng ln chs Millercng nh v c mt nt mng cng ln.

    NATuan-ITIMS-2007

    a

    b

    (11)

    (10)

    (31)(12)(41)

    (13)

    Lu :iu ny cng ng cho mng 3-D

    CHNG 1: CU TRC CA VT RN

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    NATuan-ITIMS-2007

    Khong cch gia cc mt phng

    Mng Lp phng:(Cubic)

    Mng T gic:(Tetragonal)

    Mng Trc thoi:(Orthorombic)

    Mngn nghing(n t):(Monoclinic)

    Mng Ba nghing (tam t):(Triclinic)

    Mng Su cnh (lc gic):

    (Hexagonal)

    ( )2/1

    222

    2

    1

    ++= lkha

    d

    2/1

    2

    2

    2

    22

    +

    +

    c

    l

    a

    kh

    2/1

    2

    2

    2

    2

    2

    2

    ++c

    l

    b

    k

    a

    h

    2/1

    2

    2

    2

    2

    2

    2

    2

    sin

    cos2

    ++

    b

    kac

    hl

    c

    l

    a

    h

    2/1

    222

    2

    2

    22

    2

    22

    2

    2

    coscoscos2coscoscos1

    )coscos(cos2

    )coscos(cos2

    )coscos(cos2

    sinsinsin

    +

    +++++

    ca

    lh

    bc

    kl

    ab

    hk

    c

    l

    b

    k

    a

    h

    ( )2/1

    2

    222

    2

    3

    4

    +++

    c

    lkhkh

    a

    Cho mng lc gic n

    Cho mng thoi (Rhombohedral)( ) ( )( )

    2/1

    23

    22222

    2

    cos3cos21

    coscos2sin1

    +

    +++++

    lhklhklkha

    CHNG 1: CU TRC CA VT RN

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    Gc gia hai mt phng

    NATuan-ITIMS-2007

    37.681.981.937.611.4711

    35.278.978.935.215.8511

    31.472.472.431.425.2311

    30.065.965.930.035.221135.354.754.735.354.7111

    60.045.045.060.090.0011

    45.090.090.045.00.00100

    101001010110100ANGLE

    CHNG 1: CU TRC CA VT RN

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    Bi tp: Xc nh cc mt phng song song di y

    NATuan-ITIMS-2007

    c

    a

    b

    CHNG 1: CU TRC CA VT RN

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    (0001)

    NATuan-ITIMS-2007

    Trng hp mng lc gic

    - H lc gic khc hn vi cc h khc

    do c i xng su cnh, trong

    mt shng tinh thtng ng

    nhau li khng c cng b chs.- thun li, ngi ta s dng h ta

    BravaisBravais--MillerMiller, l mt h 4-trc,

    trong 3 trc nm trong mt phngxy,

    a1, a2, v a3, to vi nhau gc 1200v trc tht, trc c, hng theo trc z.

    n v(cs)

    l lng try thoi

    a1

    a2

    c

    1200

    a3

    z

    - n vc thit lp trn cs3vectn v a1, a2, v c.

    - Cc mt phng trong cc h lc gic cnhn din bng b 4 chs Miller-Bravais:

    (hkil), trong chs i l nghch o ca

    phn on ct trc a3.

    a1/h

    a2/k

    a3/i

    a1

    a2

    a3

    a3

    (hki0)

    (1210)

    (1011)

    (1100)

    CHNG 1: CU TRC CA VT RN

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    NATuan-ITIMS-2007

    Trng hp mng lc gicLu :

    - 3 chsu trong b chs Miller-Bravais thuc mt phngxy(chac3 vectng phng a1, a2, v a3).

    - Chs i lun l chs ph thuc cc

    chs h v k, v mt mt phng ct

    cc on trn cc trc a1 v a2 cnglun xc nh on ct ca n trntrc a3:

    h + k = - i

    hay: h + k + i = 0

    Hy chng minh iu ny !

    V cc trc a1, a2, v a3 bng nhau, sau khi nhnp/t vi hki, v n im B lun pha m caa3 nu C v D pha dng, nn:

    a1

    a2

    a3

    a3

    (hki0)

    A

    C

    O

    D

    B

    AB

    OAOC

    AB

    AC

    OD

    OC ==

    ia

    iaha

    ka

    ha

    /

    //

    /

    /

    3

    31

    2

    1 =

    0111

    =++== ikhhikkihkhi

    CHNG 1: CU TRC CA VT RN

    V i h th h k i khi i t

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    NATuan-ITIMS-2007

    - V i ph thuc h v k, nn i khi ngi ta s dng k hiu mt phng l

    (h k l), thm ch b c du '' n gin nhbiu din cc h khc (hkl).

    a1

    a2

    c

    a3

    z

    [110]

    [010]

    [001]

    [100]

    [210]

    [011]

    - Hng trong h lc gic n tt nhtc biu din trong khun kh ca 3vectcsa1,a2 vc, ngha l ly n

    v l lng try thoi- Trong cc h lc gic khc c th phibiu din y c 4 thng s trong bchs Miller-Bravais, ngha l s dng

    cc on ct trong c 4 vectcsa1,a2, a3 vc (ly n v l lc lng y lcgic). Lu : Trong trng hp lunnh phi ly chs th ba l m catng hai chsu: h + k= -i.

    ( ) ( ) ( ) nwlkhiuvn

    kvun

    h =+=== ;;2

    3

    ;2

    3

    - Chuyn i t h thng 3-ch s sangh thng 4-ch s: [ ] [ ]hkiluvw

    T ti h th

    CHNG 1: CU TRC CA VT RN

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    Trc vng v vng tinh th:

    NATuan-ITIMS-2007

    - Mt vng (zone) bao gm cc mt tinh th ct nhau sao cho cc cnh giao nhau

    song song vi nhau to thnh vng tinh th (crystallography zone).

    - Hng c xc nh bi cc cnh song song to thnh trc vng (zone axis).

    zone axis

    crystallography zonecrystallography zone

    CHNG 1: CU TRC CA VT RN

    M ti h th & C t ti h th

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    NATuan-ITIMS-2007

    Mng tinh th & Cu trc tinh th:

    - mng, nt mng.- Cc nguyn t hay nhm nguyn t.

    - S sp xp cc nguyn t theo mt trt t nht nh.

    Mng tinh th

    - Kiu sp xp Cu trc tinh th.

    CHNG 1: CU TRC CA VT RN

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    NATuan-ITIMS-2007

    CHNG 1: CU TRC CA VT RN

    S t

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    NATuan-ITIMS-2007

    S sp xp cc nguyn t

    lp

    lp

    lp

    lp

    lp

    lp

    lp

    CHNG 1: CU TRC CA VT RN

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    NATuan-ITIMS-2007

    CHNG 1: CU TRC CA VT RN

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    NATuan-ITIMS-2007

    CHNG 1: CU TRC CA VT RN

    Mt ti h th ti bi

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    NATuan-ITIMS-2007

    Mt s tinh th tiu biu

    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

    1.3.2.i xng tinh th v cc nhm i xng

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    g g

    CHNG 1: CU TRC CA VT RN

    1.3.2.i xng tinh th v cc nhm i xng

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    - Khi thc hin mt php bin i R no ln tinh th, vdlm quaytinh th quanhmt trc, hay tnh tin n,... c c mt tinh th trng vi tinh thban u gi

    l php bin i i xng.

    - V d: Vic tnh tin vectcs r* = a + b + c c ththu c cc nt mng TR

    TR= (n a +p b + q c), vi n, p, q l cc s nguyn.TRc gi l php tnh tin.

    - Nhm i xng l tp hp cc phn t l cc php bin i i xng, trong bao

    gm c php ng nht E, c coi l phn tn v ca nhm (L thuyt nhm).

    - Mi cu trc tinh thc c trng bng nhm i xng ca n.

    Nhc li mt s khi nim cbn:

    CHNG 1: CU TRC CA VT RN

    i xng tinh th v cc nhm i xng

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    - Php tnh tin TR c thc thc hin bt k tinh th no Tp hp cc php

    tnh tin to thnh nhm tnh tin R = {TR}.

    Lu : R l nhm c s phn t v hn, v l nhm giao hon (khng ph

    thuc th t khi thc hin tch ca hai php tnh tin).

    - Nhm i xng trong chcha ccphp quay,php phn chiu, v t hp ca

    hai php bin i ny (nhquay-phn chiu, nghch o), khng k php tnh tin,

    gi l nhm im (P).Cc nhm im to ra cc lp tinh th: c 32 nhm im 32 lp tinh th.

    Nhc li mt s khi nim cbn:

    CHNG 1: CU TRC CA VT RN

    1) Nhm im:

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    Cc phn t ca nhm i xng im

    Phn t K hiu Quc t

    Trc (quay) n

    Trc (quay o) n

    Mt phng (phn chiu) m ()

    Nghch o I

    Tm i xng (ngh/o)

    ng nht 1 (E)

    Nhm im:

    P = {n, m, 1, I, (n, m, 1, I)}

    I l php bin i nghch o (VD: n

    n); l php bin i t hp (VD: nm).

    - Php quay:+ Mt php quay c xc nh bi trc quay C v gc quay .+ Do tnh cht tun hon ca mng tinh th php quay l php bin i i

    xng, gc quay chc th c mt s gi tr no :

    CHNG 1: CU TRC CA VT RN

    M' A & M = nt mng A', M' = nt mng

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    a

    A

    M

    A'

    AM' = m.MA' = m.a (m =1, 2, 3,...)

    Mt khc:

    AM' = MA + 2a.cos(-)

    = a.[1 + 2cos(-)]= a.(1 - 2cos)

    1 - 2cos = m 3600 1800 1200 900 600

    (2) () (2/3) (/2) (/3)

    n 1 2 3 4 6

    = 2/

    a a

    a

    n l bc ca trc quay.Khng c n = 5 & > 6

    K hiu php quay: Cn(K hiu Schnflies)

    CHNG 1: CU TRC CA VT RN

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    C1

    C2

    C3

    CHNG 1: CU TRC CA VT RN

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    C4

    C6

    CHNG 1: CU TRC CA VT RN

    V d v php quay bc n = 4 (900) ca mng lp phng 2-D

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    CHNG 1: CU TRC CA VT RN

    - Php phn chiu (php i xng gng):

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    Php phn chiu l php ly i xng qua mt mt phng, k hiu l m.- Php ng nht E: Hai ln phn chiu qua mt mt phng s tr v chnh n

    mm = m2= E

    - Php quay-phn chiu: Trong mt nhm im c th c c php bin i quay (trc

    i xng n) v php phn chiu (i xng gng m). Trong trng hp mt phn chiu

    trc i xng (k hiu l mh) nmh = n (k hiu quc t) Sn (k hiu Schnflies).

    + C th thy rng: S2 I Php nghch o chnh l php ly i xng qua tm I,

    l giao im ca trc quay bc 2 vi mt phn chiu.

    T hp cc php quay & i xng gng nm (theo cch k hiu Schnflies l

    Cnm) 12 php bin i i xng cho php trong tinh th hc.

    I

    m

    C2

    2

    2m

    E

    m

    C3

    3S2

    600

    CHNG 1: CU TRC CA VT RN

    K hiu nhm im

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    CHNG 1: CU TRC CA VT RN

    Hnh chiu ni

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    Biu din cc hng tinh th trong KG bng cc im trn mt phng

    Th hin tnh i xng ca tinh th

    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

    Cc php i xng thuc nhm im (khng

    h t h ti ) b h

    K hiuN php i xng gng

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    m

    m

    1 2 43 6

    1 2 3 64

    c php tnh tin) bao gm cc php quay vphp phn chiu gng: Cnm

    - 1 (hay n) l php quay 1 (hay 1/n) vngquanh trc i xng.- 1 (hay n) l cc php quay trn, sau lyi xng qua tm.

    (= I m)( 3

    m)

    CHNG 1: CU TRC CA VT RN

    Ghi ch:

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    Trong k hiu ca Schnflies:

    - O(octahedron) k hiu nhm c i xng ca mt hnh tm mt (hay cn

    gi l hnh lp phng), c cc php bin i thch hp nhc mt phnx vung gc vi trc quay (Oh) hay khng c mt phn x ny (O).

    - T(tetrahedron) k hiu nhm c i xng ca mt hnh bn mt (t din).

    - Tdbao gm c cc php bin i thch hp,- Tkhng bao gm cc php bin i thch hp,

    - Th l Tc thm php nghc o.

    - Cn (cyclic) biu th nhm c mt trc quay bc n (n-fold) rotation axis.- Cnh l Cn c thm mt phn x vung gc vi trc quay n.

    - Cnv l Cn c thm mt phn x song song vi trc quay n.

    CHNG 1: CU TRC CA VT RN

    Ghi ch:

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    Trong k hiu ca Schnflies:

    - Sn (Spiegel, ting German l gng) k hiu nhm chcha mt trc quay-

    phn x bc n.

    - Dn (Dihedral, hoc hai mt) k hiu nhm c mt trc quay bc n v c thm

    mt trc quay bc 2 vung gc vi trc quay bc n.

    - Dnh l Dn c thm mt mt phn x vung gc vi trc quay bc n.

    - Dnv l Dn c thm mt phn x song song vi trc quay bc n.

    (Lu :/l tinh th hc gii hn chc n = 1, 2, 3, 4, hoc 6).

    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

    Mt s v d vi xng trong khng gian

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    -i xng gng trong khng gian 2D:

    CHNG 1: CU TRC CA VT RN

    -i xng xuyn tm trong khng gian 3D

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    CHNG 1: CU TRC CA VT RN

    Combinations of Symmetry Operations 32 Crystal Classes

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

    TmkhiTmmtTm yNguynthy

    Kiu mng

    H tinh th

    14 mng Bravais

    - Cc mng tinh th kh d,m c to nn bng php

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    I

    I

    I

    F

    F

    A hoc C

    A, B, hoc C

    P

    P

    P

    P

    P

    (P) = R

    P

    BA NGHING

    MT NGHING

    TRC THOI

    T GIC

    LC GIC

    THOI

    LP PHNG

    NATuan-ITIMS-2007

    P:

    A:

    B:

    C:

    I:

    F:

    .321

    v321

    ,321

    ,321

    321v

    321

    321v

    321

    321v

    321

    321v

    321

    321

    2ba

    cba2

    cacba

    2cb

    cbacba

    2cba

    cbacba

    2ba

    cbacba

    2ca

    cbacba

    2cbcbacba

    cba

    ++++++++

    ++++++

    +++++++

    ++++++

    ++++++

    ++++++

    ++

    mmmmmm

    mmmmmm

    mmmmmm

    mmmmmm

    mmmmmm

    mmmmmm

    mmm

    Cc vecttnh tin ca mng

    c o b g p ptnh tin n v trong mih tinh th, c m tbng 14 mng Bravais.

    mi = 1, 2, 3,

    CHNG 1: CU TRC CA VT RNHnh chiu ni ca cc phn t nhm i xng im v cc k hiu Schnflies tng ng

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    S8S6S4S2

    C6h

    C5h/S5

    C4h

    C3h/S3

    C2h

    C1h/S1

    C6vC5vC4vC3vC2v

    C6C5C4C3C2C1

    CHNG 1: CU TRC CA VT RN

    Hnh chiu ni ca cc phn t nhm i xng im v cc k hiu Schnflies tng ng

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    D6hD5hD4hD3hD2h

    D6dD5dD4dD3dD2d

    D6

    D5D4

    D3

    D2

    CHNG 1: CU TRC CA VT RN

    Bng tng hp cc nhm im ca h tinh th [s dng c k hiu quc

    t (hay k hiu ca Hermann-Mauguin) v c k hiu ca Schnflies]

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    *2228

    D2horthorhombic-bipyramidal8

    *224

    C2vorthorhombic-pyramidal7

    2224

    D2orthorhombic-sphenoidal6

    OrthorhombicH trc thoi

    2*4

    C2hmonoclinic-prismatic5

    1*2

    Csmonoclinic-domatic4

    222

    C2monoclinic-sphenoidal3

    MonoclinicMt nghing

    1x2

    Citriclinic-pinacoidal2

    111C

    1triclinic-pedial1

    TriclinicBa nghing

    Nhng phn ti xng

    nggp

    (orbifold)(S phn t)

    H quc t(Hermann-Mauguin)

    HSchnflies

    Nhm im / Lptinh th

    (S TT = Nhm im)

    H tinh th

    ( y g ) ]

    CHNG 1: CU TRC CA VT RN

    2x4S4tetragonal-disphenoidial10

    444

    C4tetragonal-pyramidal9

    TetragonalBn phng

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    2*312

    or orD3dditrigonal-scalahedral20

    *336

    or orC3vditrigonal-pyramidal19

    3226

    or orD3trigonal-trapezoidal18

    3x6

    S6(C3i)

    rhombohedral17

    333

    C3trigonal-pyramidal16

    Rhombohedral(trigonal)H Mt Thoi(hay HBaphng)

    *422

    16

    D4hditetragonal-dipyramidal

    15

    2*28

    orD2dtetragonal-scalenoidal14

    *448

    C4vditetragonal-pyramidal13

    4228

    D4tetragonal-trapezoidal12

    4*8

    C4htetragonal-dipyramidal11

    CHNG 1: CU TRC CA VT RN

    3*6C3htrigonal-dipyramidal22

    666

    C6hexagonal-pyramidal21

    HexagonalSu phng

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    *43248

    Ohhexoctahedral32

    *33224

    Tdtetrahedral31

    43224Ogyroidal30

    3*224

    Thdiploidal29

    33212

    Ttetartoidal28

    CubicLp phng

    *622

    24

    D6hdihexagonal-dipyramidal

    27

    *32212

    orD3hditrigonal-dipyramidal26

    *6612

    C6vdihexagonal-pyramidal25

    62212

    D6hexagonal-trapezoidal24

    6*12

    C6hhexagonal-dipyramidal23

    CHNG 1: CU TRC CA VT RN

    Cc nhm im c th tn ti trong mt khng gian Euclid c s chiu bt k . Cv s cc nhm im ring bit trong mi chiu khng gian Tuy nhin trong tinh

    Lu :

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    v s cc nhm im ring bit trong mi chiu khng gian. Tuy nhin, trong tinh

    th hc, chc mt s hu hn cc nhm im l tng thch vi i xng tnh tin.

    Trong KG 1-D chc 2 nhm, trong KG 2-D c 10 nhm v trong KG 3-D c 32

    nhm nhvy, c gi l nhm im tinh th hc.

    Khng gian tha mn 5 tin ca Euclid:

    1- Tin vim & ng thng: ng ni gia 2 im bt ktrong KG l mt ng thng.

    2- Tin von thng & ng thng: Bt kon thng no cng c thc ko dithnh ng thng v hn.

    3- Tin von thng & ng trn: Tmt on thng bt kc thxy dng c ngtrn ly on thng l bn knh.

    4- Tin v Gc vung: Tt c cc gc vung ng dng vi nhau.5- Tin vng thng song song: Nu hai ng thng cng ct ng thba sao chotng ca cc gc trong cng pha nhhn hai gc vung, th hai ng thng chc chn phi

    ct mi ng khc trn pha nu ko di.

    CHNG 1: CU TRC CA VT RN

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    - Cc nhm khng gian trong 3-D c to nn t vic t hp 32 nhm

    im tinh th hc vi 14 mng Bravaistng ng vi 7 h tinh th.

    CHNG 1: CU TRC CA VT RN

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    S t hp ca tt c php bin i i xng ny s to ra tng cng

    230 nhm khng gian duy nht m t tt c cc khnng i xng

    tinh th c th c.

    NATuan-ITIMS-2007

    CHNG 1: CU TRC CA VT RN

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    M M

    M

    CHNG 1: CU TRC CA VT RN

    Monoclinic

    2. P-11. P1

    Triclinic2) Nhm khng gian

    MT NGHING

    BA NGHING

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    74. I m m a73. I b c a72. I b a m71. I m m m

    70. F d d d69. F m m m68. C c c a67. C m m a66. C c c m

    65. C m m m64. C m c a63. C m c m62. P n m a61. P b c a

    60. P b c n59. P m m n58. P n n m57. P b c m56. P c c n55. P b a m54. P c c a53. P m n a52. P n n a51. P m m a

    50. P b a n49. P c c m48. P n n n47. P m m m46. I m a 2

    45. I b a 244. I m m 243. F d d242. F m m 241.A b a 2

    40.A m a 239.A b m 238.A m m 237. C c c236. C m c21

    35. C m m 234. P n n 233. P n a 2132. P b a 231. P m n 21

    30. P n c229. P c a 2128. P m a 227. P c c226. P m c21

    25. P m m 224. I21 21 2 123. I2 2 222. F2 2 221. C2 2 2

    20. C2 2 2119. P21 21 2 118. P21 21 217. P2 2 2116. P2 2 2

    Orthorhombic

    15. C1 2 / c114. P1 21 / c113. P1 2 / c1

    12. C1 2 / m 111. P1 21 / m 110. P1 2 / m 19. C1 c18. C1 m 1

    7. P1 c16. P1 m 15. C1 2 14. P1 21 13. P1 2 1

    TRC THOI

    CHNG 1: CU TRC CA VT RN

    Tetragonal T GIC

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    142. I41 / a c d141. I41 / a m d140. I4 / m c m

    139. I4 / m m m138. P42 / n c m137. P42 / n m c136. P42 / m n m135. P42 / m b c134. P42 / n n m133. P42 / n b c132. P42 / m c m131. P42 / m m c130. P4 / n c c

    129. P4 / n m m128. P4 / m n c127. P4 / m b m126. P4 / n n c125. P4 / n b m

    124. P4 / m c c123. P4 / m m m122. I-4 2 d121. I-4 2 m120. I-4 c2

    119. I-4 m 2118. P-4 n 2117. P-4 b 2116. P-4 c2115. P-4 m 2

    114. P-4 21 c113. P-4 21 m112. P-4 2 c111. P-4 2 m110. I41 c d

    109. I41 m d108. I4 c m107. I4 m m106. P42 b c105. P42 m c

    104. P4 n c103. P4 c c102. P42 n m101. P42 c m100. P4 b m

    99. P4 m m98. I41 2 297. I4 2 296. P43 21 295. P43 2 2

    94. P42 21 293. P42 2 292. P41 21 291. P41 2 290. P4 21 289. P4 2 288. I41 / a87. I4 / m86. P42 / n85. P4 / n

    84. P42 / m83. P4 / m82. I-481. P-480. I41

    79. I478. P4377. P4276. P4175. P4

    CHNG 1: CU TRC CA VT RN

    Trigonal THOI

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    194. P63 / m m c193. P63 / m c m

    192. P6 / m c c191. P6 / m m m190. P-6 2 c189. P-6 2 m188. P-6 c2

    187. P-6 m 2186. P63 m c185. P63 c m184. P6 c c183. P6 m m

    182. P63 2 2181. P64 2 2180. P62 2 2179. P65 2 2178. P61 2 2

    177. P6 2 2176. P63 / m175. P6 / m174. P-6173. P63172. P64171. P62170. P65169. P61168. P6

    Hexagonal

    167. R-3 c166. R-3 m165. P-3 c1164. P-3 m 1163. P-3 1 c

    162. P-3 1 m161. R3 c160. R3 m159. P3 1 c158. P3 c1157. P3 1 m156. P3 m 1155. R3 2154. P32 2 1153. P32 1 2

    152. P31 2 1151. P31 1 2150. P3 2 1149. P3 1 2148. R-3

    147. P-3146. R3145. P32144. P31143. P3

    LC GIC

    CHNG 1: CU TRC CA VT RN

    199 I 2 3198 P 2 3197 I 2 3196 F 2 3195 P 2 3

    Cubic LP PHNG

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    230. I a -3 d

    229. I m -3 m228. F d-3 c227. F d-3 m226. F m -3 c225. F m -3 m

    224. P n -3 m223. P m -3 n222. P n -3 n221. P m -3 m220. I-4 3 d

    219. F-4 3 c218. P-4 3 n217. I-4 3 m216. F-4 3 m215. P-4 3 m

    214. I41 3 2213. P41 3 2212. P43 3 2211. I4 3 2210. F41 3 2

    209. F4 3 2208. P42 3 2207. P4 3 2206. I a -3205. P a -3

    204. I m -3203. F d-3202. F m -3201. P n -3200. P m -3

    199. I21 3198. P21 3197. I2 3196. F2 3195. P2 3

    http://img.chem.ucl.ac.uk/sgp/mainmenu.htm

    CHNG 1: CU TRC CA VT RN

    Mt s v d:

    1. P1

    C th tra cu trong: http://img.chem.ucl.ac.uk/sgp/mainmenu.htm

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    Triclinic

    CHNG 1: CU TRC CA VT RN

    Mt s v d:

    3. P1 2 1

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    Monoclinic

    CHNG 1: CU TRC CA VT RN

    Mt s v d:

    28. P m a 2

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    Orthorhombic

    CHNG 1: CU TRC CA VT RN

    Mt s v d:

    100. P4 b m

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    Tetragonal

    CHNG 1: CU TRC CA VT RN

    Mt s v d:

    159. P3 1 c

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    Trigonal

    CHNG 1: CU TRC CA VT RN

    Mt s v d:

    168. P6

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    Hexagonal

    CHNG 1: CU TRC CA VT RN

    Mt s v d:

    195. P2 3

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    Cubic

    CHNG 1: CU TRC CA VT RN

    1.1. Cu trc nguyn t

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    1.2. Cht rn v cc lin kt trong cht rn

    1.3. Cu trc tinh th ca cht rn - Mng tinh th v ixng tinh th

    1.4. Cu trc vt rn v nh hnh.

    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    (32 nhm im)

    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    CHNG 1: CU TRC CA VT RN

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    Crystal Structure

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