Chap1-Crystal Structure Small

Solid State Physics by Heesang Kim at SSU-2007
Solid State Physics by Heesang Kim at SSU-2007 Solid State Physics by Heesang Kim at SSU-2007
Chapter
Chapter1.1.Crystal
CrystalStructure
Structure
Solid
Solid State
State Physics
Physics
Text: Introduction to Solid State

Physics
by Charles Kittel
Periodic array of atoms
Lattice: regular periodic arrangement of points in
• Translational Symmetry:
space
r v v v v v v
a1 , a2 , a3 Basis vectors
Lattice sites: u = u1a1 + u 2 a2 + u3 a3
Primitive lattice translation vector
v v v v
u1 , u2 , u3 T = n1a1 + n2 a2 + n3 a3
( : 정수) n1 , n2 , n3 : 정수
v v v
a1 , a 2 , a 3 v
: Basis vector ( primitive vectors ) 원자 구조가 T 만큼 이동해도 변화 없음
v
crystal(lattice) translation vector : T
1
Crystal
Crystalstructure
structure==lattice
lattice++basis
basis • Primitive unit cell:
A volume of space that, when translated through all the vectors in a Bravais
lattice, just fills all of space without either overlapping itself or leaving voids.
v v v v
γ = x1 a1 + x 2 a 2 + x3 a3
0 ≤ x1 , x 2 , x3 ≤ 1 인 체적.
There are various possible choices of primitive unit cell.
• Wigner-seitz primitive cell: Bravais

•• Bravaislattice
lattice
Primitive unit cell 중에서 가장 기본이 되는 것.
정해진 한 점에서 가장 가까운 lattice sites들을 잇는 vector를 수직 이등분한 Crystal구조를
Crystal 구조를나누는
나누는기본
기본단위의
단위의lattice
lattice
선으로 둘러싸인 cell.
14개(3차원)
14개(3차원) 5개(2차원)
5개(2차원)
2
• Two-dimensional lattice
••Crystal
Crystalstructure:
structure:3차원에서 crystal의기본
3차원에서crystal의 기본구조
구조 7개와
7개와 14
14Bravaus
Bravauslattices
lattices
1. Oblique lattice
v v v v
a , b , a ≠ b , α ≠ 90°
2. Special lattice (4) a ≠b ≠c, α ≠ β ≠γ
Triclinic ( ) 1가지
Monoclinic ( a≠b≠c, α =γ =90° ≠β ) 2 가지
Hexagonal lattice a ≠b ≠c, α = β =γ =90°
Orthorhombic ( ) 4가지
Square lattice a =b ≠c, α = β =γ =90°
Tetragonal ( ) 2가지
Rectangular lattice a =b =c, α = β =γ =90°
Cubic ( ) 3가지
Centered rectangular lattice a =b =c, α = β =γ <120°, ≠90°
Trigonal ( ) 1가지
Hexagonal ( a =b ≠c, α = β =90°, γ =120° ) 1가지
Characteristics
Characteristicsof
ofCubic
CubicLattices
Lattices Simple
Simplecubic
cubiclattice
lattice(sc)
(sc)
v v v
Simple Body-centered Face-centered
a1 = axˆ, a 2 = ayˆ , a3 = azˆ
Volume(conventional cell) a3 a3 a3
Lattice points per cell 1 2 4
1 3 1 3
Volume of primitive cell a3 a a
2 4
No. of nearest neighbors 6 8 12
3 1
Nearest neighbor distance a a a
2 2
Packing fraction 0.524 0.68 0.740
3
Body
Bodycentered
centeredcubic
cubicstructure
structure(bcc)
(bcc) Face-centered
Face-centeredcubic
cubiclattice
lattice(fcc)
(fcc)
: A cubic lattice with two atoms per unit cell.

Primitive vectors
v v 1 1 1
l = l x axˆ + l y ayˆ + l z azˆ and l ′ = (l x + ) axˆ + (l y + ) ayˆ + (l z + )azˆ v a v a v a
2 2 2 a1 = ( yˆ + zˆ ), a 2 = ( zˆ + xˆ ), a3 = ( xˆ + yˆ )
lx , l y , lz : integers 2 2 2
• Primitive vectors
v 1
I) av1 = 1 ( −axˆ + ayˆ + azˆ ) , av2 = 1 ( axˆ − ayˆ + azˆ ) , a 3 = ( axˆ + ayˆ − azˆ )
2 2 2
v v v a
II) a1 = axˆ , a2 = ayˆ , a3 = ( xˆ + yˆ + zˆ )
2
Hexagonal
Hexagonalstructure
structure
Miller
Millerindex
index
Primitive vectors Plane : (100)

Direction : [100]
v a 3 v a 3 v
a1 = xˆ + ayˆ a 2 = xˆ − ayˆ , a 3 = czˆ Set of planes : {100} = {(100), (010), (001), (100), (010), (001)}
2 2 2 2
π
α=β=
2
γ = 120°
1 1 1 2 3 3
v v v (3,2,2) => ( , , ) ∝ ( , , )
a 2 = a1 ≠ a3 3 2 2 6 6 6
=> ( 2,3,3)
4
Simple
SimpleCrystal
CrystalStructures
Structures Cesium Chloride Structure : sc with basis(Cs, Cl)
ex) BeCu, AlNi, CuZn, CuPd, AgMg, LiHg, NH4Cl, TlBr, CsCl, TlI
Sodium Chloride Structure : fcc with basis(Na, Cl)

ex) LiH, MgO, MnO, NaCl, AgBr, PbS, KCl, KBr
Hexagonal Close-packed Structure : hexagonal with basis of two atoms
Close-packed
Close-packedStructures
Structures: :packing
packingratio
ratio0.74,
0.74,infinite
infinitenumber
numberofofways
ways ex) He, Be, Mg, Ti, Zn, Cd, Co, Y, Zr, Gd, Lu
random
randomstacking
stacking––ABABCABCABABC……
ABABCABCABABC……
hcp
hcp––ABABABAB…
ABABABAB…
fcc
fcc––ABCABCABC…
ABCABCABC…(111)
(111)surface
surface
Polytypism
Polytypism––(ABA…CAB)(ABA…CAB)…..
(ABA…CAB)(ABA…CAB)…..ZnS,
ZnS,SiC
SiC
5
Diamond structure : carbon, silicon, germanium, tin Cubic Zinc Sulfide structure : CuF, SiC, CuCl, ZnS, AlP, GaP, ZnSe, GaAs, AlAs
fcc with basis at 000, ¼ ¼ ¼ CdS, InSb, AgI
packing ratio 0.34 fcc with basis of different atoms at 000, ¼ ¼ ¼
Inversion symmetry at 1/8 1/8 1/8 packing ratio N/A
No inversion symmetry
Direct
DirectImaging
ImagingofofAtomic
AtomicStructure
Structure: :Scanning
Scanningtunneling
tunnelingmicroscopy
microscopy(STM)
(STM)
STM image of Pt (platinum)

fcc (111) surface at o4K
nn spacing is 2.78 A

Chap1-Crystal Structure Small

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Solid State Physics by Heesang Kim at SSU-2007

Text: Introduction to Solid State

There are various possible choices of primitive unit cell.

• Wigner-seitz primitive cell: Bravais

Lattice points per cell 1 2 4

No. of nearest neighbors 6 8 12

Packing fraction 0.524 0.68 0.740

: A cubic lattice with two atoms per unit cell.

Primitive vectors Plane : (100)

Sodium Chloride Structure : fcc with basis(Na, Cl)

STM image of Pt (platinum)

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