Chuong 2 Vat Lieu Hoc NTS v2
description
Transcript of Chuong 2 Vat Lieu Hoc NTS v2
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1
Chương 2
Cấu trúc VL kim loại và hợp chất vô cơ
1. Lập phương thể tâm (body-centered cubic, BCC)
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Chương 2
Hằng số mạng a, bán kính nguyên tử R
Số NT (nút mạng)/ô cơ sở: 1/8x8 + 1=2
Quan hệ a, R: 𝑎 =4𝑅
3 (các NT tiếp xúc theo
đường chéo khối)
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Chương 2
Số NT gần nhất đối với 1 NT (số sắp xếp): 8
Khoảng cách gần nhất giữa 2 NT: 𝑎 3
2
Mật độ thể tích Mv (Atomic packing factor, APF):
Mv=68%
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Chương 2
Mặt phẳng dày đặc nhất: (110)
Mật độ sắp xếp ở mp dày đặc nhất:
𝑀𝑆 =𝐷𝑖ệ𝑛 𝑡í𝑐ℎ 𝑐ℎ𝑖ế𝑚 𝑏ở𝑖 𝑐á𝑐 𝑁𝑇
𝐷𝑖ệ𝑛 𝑡í𝑐ℎ 𝑐ủ𝑎 𝑚ặ𝑡𝑥100%
MS, (110)=84%
Kim loại có cấu trúc BCC: Fea, Cr, W, Mo, V
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Chương 2
2. Cấu trúc CsCl
Cấu trúc BCC, Cl- nằm ở
đỉnh, Cs+ nằm ở tâm hay
ngược lại.
Các ion tiếp xúc theo đường
chéo khối.
Quan hệ a, R:
𝑎 =2(𝑅 + 𝑟)
3
Trong 1 ô, số cation: 1, số
anion: 1
Mỗi Cs+ có 8 Cl- bao quanh
gần nhất và ngược lại.
Muối cùng kiểu mạng:
CsBr, CsI, NH4Cl, NH4Br
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Chương 2 3. Lập phương diện tâm (face-centered cubic, FCC)
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Chương 2
Số NT (nút mạng)/ô cơ sở: 1/8x8 + 1/2x6=4
Quan hệ a, R: 𝑎 =4𝑅
2 (các NT tiếp xúc theo đường chéo
mặt)
Số NT gần nhất đối với 1 NT (số sắp xếp): 12
Khoảng cách gần nhất giữa 2 NT: 𝑎 2
2
Mật độ thể tích Mv (Atomic packing factor, APF):
Mv=74%
Mặt dày đặc nhất: (111), MS, (111)=90.7%
KL cùng kiểu mạng: Fe, Cu, Ni, Al, Pb
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Chương 2
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Chương 2 4. Cấu trúc NaCl
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Chương 2
Cl-: FCC, Na+: giữa các cạnh và tâm khối, hoặc ngược
lại.
Quan hệ a, R: a=2(R+r) (các ion tiếp xúc theo cạnh ô
cơ sở)
Trong 1 ô cơ sở có:
• Na+:1/4x12 + 1=4
• Cl-: 1/8x8 + 1/2x6=4
Mỗi Na+ có 6 Cl- bao quanh gần nhất và ngược lại
Hợp chất cùng kiểu mạng: NaX, KX, LiX (X: halogen),
AgCl, các oxit MgO, CaO, SrO, BaO, CdO, MnO, FeO,
CoO, NiO
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Chương 2 5. Cấu trúc kim cương
A
B
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Chương 2
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Chương 2
NT carbon: FCC và ở tâm của hai cặp hình lập
phương nhỏ chéo nhau
Số NT carbon/ô cơ sở: 1/8x8 + 1/2x6 + 2 + 2=8
Quan hệ a, R: (hai NT ở vị trí A và B tiếp xúc nhau)
𝐴𝐵 = 2𝑅 =𝑎 3
4
Có cấu trúc giống kim cương: Si, Ge
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Chương 2 6. Cấu trúc ZnS (sphalerite)
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Chương 2
Trong ô cơ sở:
• Zn2+: 1/8x8 + 1/2x6=4
• S2-: 4
Cùng kiểu mạng: CuCl, CuF, CuI
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Chương 2 7. Cấu trúc CaF2
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Chương 2
Trong ô cơ sở:
• Ca2+: 1/8x8 + 1/2x6=4
• F-: 8
Cùng kiểu mạng: BaF2, ZrO2, Na2O
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Chương 2 8. Cấu trúc ABX3 (Perovskite): CaTiO3, BaTiO3,
SrZrO3, SrSnO3
CaTiO3 (lập phương)
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Chương 2 8. Cấu trúc ABX3 (Perovskite):
BaTiO3
(tetragonal: tứ phương)
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Chương 2 9. Cấu trúc AB2O4 (Spinel):
Lỗ hổng
khối 4
mặt
Lỗ hổng
khối 8
mặt
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Chương 2 9. Cấu trúc AB2O4 (Spinel): MgAl2O4
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Chương 2 9. Cấu trúc AB2O4 (Spinel):
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Chương 2 9. Cấu trúc AB2O4 (Spinel):
Normal:
Inverse:
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Chương 2 10. Hệ sáu phương (hexagonal):
O
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Chương 2 10. Hệ sáu phương (hexagonal):
O
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Chương 2 10. Hệ sáu phương (hexagonal):
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Chương 2 10. Hệ sáu phương (hexagonal):
0
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Chương 2 10. Hệ sáu phương (hexagonal):
O
If crystal planes in hexagonal
systems are indexed using Miller
indices, then crystallographically
equivalent planes have indices
which appear dissimilar. To
overcome this, the Miller-Bravais
indexing system is used.
Directions and planes in hexagonal
lattices and crystals are designated by
the 4-index Miller-Bravais notation
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Chương 2
1. Vector repositioned (if necessary) to pass
through origin.
2. Read off projections in terms of unit
cell dimensions a1, a2, a3, or c
3. Adjust to smallest integer values
4. Enclose in square brackets, no commas
[uvtw]
[ 1120 ] ex: ½, ½, -1, 0 =>
dashed red lines indicate
projections onto a1 and a2 axes
a1
a2
a3
-a3
2
a 2
2
a 1
- a3
a1
a2
z Ký hiệu phương (theo Miller-Bravais)
O
O
A
A
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Chương 2
U u t V v t W w
1(2 )
3u U V
1(2 )
3v V U w W
Transformation between 3-index (Miller) [UVW] (a1, a2, c
coordinate system) and 4-index (Miller-Bravais) [uvtw] (a1, a2, a3,
c coordinate system) notations
𝑡 = −1
3(𝑈 + 𝑉)
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CONVERSION OF DIRECTIONAL INDICES
31
Phương OR:
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Ký hiệu mặt (theo Miller-Bravais)
(h k i l)
i = (h + k)
a1
a2
a3
Intercepts → 1 1 - ½
Plane → (1 12 0)
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a1
a2
a3
Intercepts → 1 –1
Miller → (0 1 0)
Miller-Bravais → (0 11 0)
Intercepts → 1 –1
Miller → (1 1 0 )
Miller-Bravais → (1 1 0 0 )
Obviously the ‘green’ and
‘blue’ planes belong to the
same family and first three
indices have the same set of
numbers (as brought out by the
Miller-Bravais system)
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a1
a2
a3
Intercepts → 1 1 – ½
Plane → (1 12 0)
Intercepts → 1 –2 –2
Plane → (2 11 0 )
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Intercepts → 1 1 - ½ 1
Plane → (1 12 1)
Intercepts → 1 1 1
Plane → (1 01 1)
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11. Cấu trúc sáu phương xếp chặt (Hexagonal close
packed, Hcp):
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a=b, c/a=1.633 (lý tưởng)
12 NT ở đỉnh, 2 NT ở tâm mặt, 3 NT ở tâm 3 hình trụ
tam giác cách nhau.
Số NT /ô cơ sở: 1/6x12 + 1/2x2 + 3=6
Quan hệ a, R: các NT tiếp xúc nhau dọc cạnh đáy và
đường chéo mặt đáy
𝑎 = 2𝑅
Số phối trí: 12
Mật độ xếp thể tích: Mv=74 %
Mặt phẳng xếp dày đặc nhất: mp đáy, Ms=90.7%
Có cấu trúc Hcp: Cd, Mg, Zn, Ti, Co
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ZnS (Wurtzite)
Wurtzite Sphalerite
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12. Vật liệu silicat:
Silica
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12. Vật liệu silicat:
Sodium silicate glass
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12. Vật liệu silicat:
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12. Vật liệu silicat:
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13. Mất trật tự trong mạng TT (crystal defects):
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13. Mất trật tự trong mạng TT (crystal defects):
Khuyết tật điểm (point defects): lỗ trống, thay thế,
xen kẻ: khuyết tật Schottky (Schottky defect), khuyết
tật Frenkel (Frenkel defect)
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Mất trật tự Frenkel cation:
Mất trật tự Frenkel anion:
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Mất trật tự Schottky:
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Cách tính số khuyết tật Schottky cho mạng MX
Cách tính số khuyết tật Frenkel cho mạng MX
k:
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Mất trật tự khi có phụ gia/tạp chất:
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Mất trật tự khi có phụ gia/tạp chất:
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14. Cấu trúc mạng TT khi bị khuyết tật:
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14. Các hợp chất không tương hợp hóa học (non-
stoichiometry):
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