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3 States of Matter
Gas Liquid Solid fluid
Crystals
A crystal lattice is a periodic array of points in space
Crystal Lattice
(simple cubic)
Crystal Habits
(cubic)
From H. E. Hall
100 nm
500 nm
High-Temperature Superconductor: YBa2Cu3O7 O Cu Building blocks of the crystal lattice can contain complex units Y
Ba
www.wfu.edu/~lawct/ybco.html
Crystals
A crystal lattice is a periodic array of points in space
Most simple chemical compounds in the solid state are crystalline There are many amorphous compounds: no long-range order (glass and vitreous are other terms also used for this)
r r r r R = n1a1 + n2 a2 + n3 a3
Primitive vectors: the set of the smallest translation vectors that make up the lattice
Any point on a lattice can be reached by an appropriate choice of n1, n2, n3 (integers)
Unit Cells
Primitive Unit Cell: Volume of space that can be translated through all primitive vectors of the lattice. It exactly fills space without overlapping or gaps. The definition is not unique.
r r r Vc = a3 (a2 a1 )
The Wigner-Seitz Primitive Cell a popular primitive cell construction Draw lines between neighboring atoms Draw lines perpendicular through the midpoint of these Wigner-Seitz cell is the smallest enclosed volume
Conventional Unit Cell (the Unit Cell): Can be primitive or nonprimitive cell (it can contain more than one lattice point/cell which would be included as a basis).
Primitive
Bravais Lattices
Symmetry group of a crystal contains both: Translational Symmetry Point Symmetry
C1
C2
C3
C4
C5
C6
Reflection (mirror)
Inversion
r r r r
http://www.staff.ncl.ac.uk/j.p.goss/symmetry/Stereographs.html http://www.reciprocalnet.org/edumodules/symmetry/operations/index.html
Bravais Lattices
Symmetry group of a crystal contains both: Translational Symmetry Point Symmetry
From Marder
3 Dimensions:
7 Crystal Systems 14 Bravais Lattices
http://frank.mtsu.edu/~njsmith/modernii/lec10I.html
Lowest symmetry
abc
a=b=c o = = = 90
2 Tetragonal Lattices
a=bc o = = = 90
4 Orthorhombic Lattices
abc o = = = 90
1 Hexagonal Lattice
c a a
a=bc o = = 90 o = 120
1 Trigonal Lattice
Rhombohedral or Trigonal
2 Monoclinic Lattices
abc o = = 90
From Kittel
From Kittel
2D
BCC
From Kittel
From Kittel
Examples are usually ionically-bonded salts such as: Alkali-Halides: NaCl, LiFetc Alkaline-Chalcoginides (II-VI): CaS, MgS, SrSe, BaO, etc AgF, AgCl (Ag is usually monovalent) Rare-Earth Arsenides such as ErAs (Er is trivalent)
CaF2 Structure
FCC Ca based at (0,0,0) SC F based at (a/4, a/4, a/4)
F Ca
Examples: Alkaline-Halides: CaF2 , BaF2 Alkali-Chalcoginides: Li2O, Na2S Others: HfO2, CeO2, Mg2Si
Perovskite Structure
Ba at (0,0,0) Ti at (a/2, a/2, a/2) O at Face-Centered sites
Ti Ba O
Examples: BaTiO3, LaAlO3, SrTiO3, KNiF3. High-Tc superconductors based on these structures.
Often exhibit structural transitions to lower symmetry from rotation or stretching of the oxygen octahedra which are often Ferroelectric.
Hexagonal Structures
X X
a2 a1 a2 120 a1
a1 = a2 = a
HCP FCC
From Kittel
(H,K,L) planes: {H,K,L} indicates all symmetry-related planes [H,K,L] indicates the direction in the crystal. For cubic crystals [H,K,L] is perpendicular to the (HKL) plane
From Kittel
14 Bravais Lattices in 3D
(Kittel)