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Introduction to Crystal structure
The Nobel Prize in Physics 1901
in recognition of the extraordinary services he has
rendered by the discovery of the remarkable rays
subsequently named after him
Munich University
Munich, Germany
b. 1845
d. 1923
Wilhelm Conrad Röntgen
http://nobelprize.org/nobel_prizes/physics/laureates/index.html
The Nobel Prize in Physics 1914
for his discovery of the diffraction of
X-rays by crystals
Max von Laue
Frankfurt-on-the-Main University
Frankfurt-on-the-Main, Germany
b. 1879
d. 1960
The Nobel Prize in Physics 1915
for their services in the analysis of
crystal structure by means of X-rays
Sir William Henry Bragg William Lawrence Bragg
University College
London, United Kingdom
Victoria University
Manchester, United Kingdom
b. 1862
d. 1942
b. 1890
(in Adelaide, Australia)
d. 1971
Basis
Lattice
Primitive
Primitive translation
vectors
Crystal axis
Translation vectors in 3D
a1∙a2xa3
is smallest
ai
(a) Lattice points of a space lattice in 2D
(b) Primitive cell of a space
lattice in 3D
(c) Identical atoms, sketch in on the
figure a set of lattice points, a
choice of primitive axes, a primitive
cell, and the basis of atoms d with a
lattice point.
Wigner-Seitz primitive cell
14 Bravis lattices in three dimension
14 Bravis lattices in three dimension
BCC metal
Primitive translation vector of BCC.
a1=a(x+y-z)/2
a2=a(-x+y+z)/2 a3=a(x-y+z)/2
a1+a2=? a1+a3=? a2+a3=?
a1xa2。a3=?
Primitive translation vector of FCC.
a1=a(x+y)/2
a2=a(y+z)/2
a3=a(x+z)/2
x
y
z
a1xa2。a3=?
FCC metal
金屬鍵沒方向性
4R=√(2) a Volume of one atom=4πR3/3
Packing fraction=[8x(1/8)+6x(1/2)] x4πR3/3/(volume of one unit cell)=0.74
BCC metal alloy
BCC compound
FCC compound (NaCl)
Sodium Chloride Structure
4 units of NaCl in each unit cube
Cl: 000; ½ ½ 0; ½ 0 ½ 0 ½ ½ Na: ½ ½ ½ ; 00 ½; 0 ½ 0; ½ 0 0
Crystals of rock salt structures:
LiH, MgO, MnO, AgBr, KCl…
FCC molecule crystal (CH4) 90K melting point
hcp
fcc
Hexagonal close packed structure (hcp)
參考Fig.21, c/a?
Zinc Sulfide ZnS has two major crystalline forms
zinc blende structure
Wurtzite structure
ZnSe, GaAs…..
ZnO, GaN, CdS…
Diamond cubic
比較zinc blende structure與diamond cubic
比較(110)與(1,1,0)
dhkl=?
Index system for crystal planes
1. Find the intercepts on the axes
2. Take the reciprocal of these numbers
having the same ratio, usually the
smallest three intergers. (hkl)
Miller index
(233)
Coordinates and direction of axis
Bragg law 2d sinθ=nλ 103 to 105 planes
X-rays of an unknown wavelength are diffracted 43.4o by
copper (fcc), whose lattice constant a is 0.3615 nm.
Separate determinations indicate that this diffraction line
for copper is the first-order (n=1) line for d111.
(a) What is the wavelength of the x-rays?
(b) The same x-rays are used to analyze tungsten (bcc).
What is the angle, 2θ, for the second-order diffraction lines
of the d010 spacing?

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crystal structures (week 2).pdf

  • 2. The Nobel Prize in Physics 1901 in recognition of the extraordinary services he has rendered by the discovery of the remarkable rays subsequently named after him Munich University Munich, Germany b. 1845 d. 1923 Wilhelm Conrad Röntgen http://nobelprize.org/nobel_prizes/physics/laureates/index.html
  • 3. The Nobel Prize in Physics 1914 for his discovery of the diffraction of X-rays by crystals Max von Laue Frankfurt-on-the-Main University Frankfurt-on-the-Main, Germany b. 1879 d. 1960
  • 4. The Nobel Prize in Physics 1915 for their services in the analysis of crystal structure by means of X-rays Sir William Henry Bragg William Lawrence Bragg University College London, United Kingdom Victoria University Manchester, United Kingdom b. 1862 d. 1942 b. 1890 (in Adelaide, Australia) d. 1971
  • 6. (a) Lattice points of a space lattice in 2D (b) Primitive cell of a space lattice in 3D (c) Identical atoms, sketch in on the figure a set of lattice points, a choice of primitive axes, a primitive cell, and the basis of atoms d with a lattice point.
  • 8. 14 Bravis lattices in three dimension
  • 9. 14 Bravis lattices in three dimension
  • 11. Primitive translation vector of BCC. a1=a(x+y-z)/2 a2=a(-x+y+z)/2 a3=a(x-y+z)/2 a1+a2=? a1+a3=? a2+a3=? a1xa2。a3=? Primitive translation vector of FCC. a1=a(x+y)/2 a2=a(y+z)/2 a3=a(x+z)/2 x y z a1xa2。a3=?
  • 12. FCC metal 金屬鍵沒方向性 4R=√(2) a Volume of one atom=4πR3/3 Packing fraction=[8x(1/8)+6x(1/2)] x4πR3/3/(volume of one unit cell)=0.74
  • 14. FCC compound (NaCl) Sodium Chloride Structure 4 units of NaCl in each unit cube Cl: 000; ½ ½ 0; ½ 0 ½ 0 ½ ½ Na: ½ ½ ½ ; 00 ½; 0 ½ 0; ½ 0 0 Crystals of rock salt structures: LiH, MgO, MnO, AgBr, KCl…
  • 15. FCC molecule crystal (CH4) 90K melting point
  • 16. hcp fcc Hexagonal close packed structure (hcp) 參考Fig.21, c/a?
  • 17. Zinc Sulfide ZnS has two major crystalline forms zinc blende structure Wurtzite structure ZnSe, GaAs….. ZnO, GaN, CdS…
  • 18. Diamond cubic 比較zinc blende structure與diamond cubic
  • 19. 比較(110)與(1,1,0) dhkl=? Index system for crystal planes 1. Find the intercepts on the axes 2. Take the reciprocal of these numbers having the same ratio, usually the smallest three intergers. (hkl) Miller index (233)
  • 20.
  • 22. Bragg law 2d sinθ=nλ 103 to 105 planes
  • 23.
  • 24.
  • 25. X-rays of an unknown wavelength are diffracted 43.4o by copper (fcc), whose lattice constant a is 0.3615 nm. Separate determinations indicate that this diffraction line for copper is the first-order (n=1) line for d111. (a) What is the wavelength of the x-rays? (b) The same x-rays are used to analyze tungsten (bcc). What is the angle, 2θ, for the second-order diffraction lines of the d010 spacing?