Solid State Physics: Crystal Lattices

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Solid State Physics

Crystal Lattices

What is a lattice?
A lattice (a Bravais Lattice) is an infinite array of discrete points with an arrangement and orientation that appears exactly the same

In short: a lattice is a regular periodic array of points in space It is a mathematical abstraction Crystal structure is formed when a basis of atoms is attached identically to every lattice point Crystal structure = lattice + basis

Auguste Bravais (1811 1863)


French physicist

What is a lattice?
A Bravais lattice consists of all points with position vectors R of the form
=n1 a 1n 2 a 2 n3 a 3 R

where a 1 , a 2 , a 3 = any primitive vectors which are not always in the same plane n1 , n2 , n3 = integer value (negative, zero, or positive)

2D Bravais lattice (also known as net)

5 fundamental 2D Bravais lattices: (1) oblique (2) rectangular (3) centered rectangular (4)hexagonal (5) square

3D Bravais lattice

Another example for 3D Bravais lattices

The following pict is not a Bravais lattice! The arrangement is the same but the orientation is not!

Infinite Lattice

The Bravais lattices must be infinite However, the crystals themselves are finite Infinite lattice is an idealization, if the lattice is finite there must be surface effects But for convenience, we consider the finite crystal consists of N sites: for =n1 a 1n 2 a 2n3 a 3 then R
0n1 N 1 , 0n 2N 2 , 0n3 N 3 and N =N 1 N 2 N 3

For any given Bravais lattice, the set of primitive vectors is not unique!

Another example: bcc lattice

bcc = body-centered cubic

If simple cubic lattice has primitive vectors: a x , a , and a y z a Then for bcc: a 1 =a x , a 2=a y , a 3= x z y 2

Or can be written as another set: a a a a 1= y z x , a 2= x y , a 3= x z z y 2 2 2

Both sets generate the bcc Bravais lattice

see Kittel for bcc's primitive cell

Next example: fcc lattice

fcc = face-centered cubic

set of primitive vectors for fcc lattice: a a a a 1= y z , a 2= x , a 3= x z y 2 2 2

see Kittel for fcc's primitive cell

Note: element with simple cubic lattice is very rare, the alpha phase of Polonium (Po) is the only known example under normal conditions

Coordination Number

The points in a Bravais lattice that are closest to a given point are called nearest neighbors Each point in Bravais lattice has the same number of nearest neighbors, referred to as the coordination number of the lattice Coordination number for sc lattice : 6 Coordination number for bcc lattice : 8 Coordination number for fcc lattice : 12

Primitive Unit Cell

Primitive (unit) cell is 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 There is no unique way of choosing a primitive cell for a given Bravais lattice A primitive cell must contain only one lattice point The volume of a primitive cell is independent of the choice of cell (v = 1/n; v = volume, n = density of points in the lattice)

Primitive Unit Cell

The primitive cell associated with a set of primitive vector a 1 , a 2 , a 3 is the set of all point r of the form
r = x 1 a 1 x 2 a 2 x 3 a 3 with 0 x i 1

This set usually does not display the full symmetry of the Bravais lattice. For example:

To solve this disadvantage...

Conventional Unit Cell

A unit cell is a region that just fills space without any overlapping when translated through some subset of the vectors of Bravais lattice The conventional unit cell is generally chosen to be bigger than the primitive unit cell and to have the required symmetry In this cell, bcc displayed as a cubic unit cell is twice as large as the primitive bcc unit cell And fcc is displayed as a cubic cell is 4 times bigger than the primitive fcc unit cell

Numbers specifying the size of a unit cell are called lattice constants

Wigner-Seitz Primitive Cell

Eugene Wigner (1902 - 1995)

Frederick Seitz (1911 - 2008)

Non-Bravais Lattices

Diamond Structure

It consists of two interpenetrating fcc lattice, displaced along the body diagonal of the cubic lattice by the length of the diagonal. It can also be regarded as an fcc z lattice with the two-point basis 0 and a /4 x y

Hexagonal Close-Packed Structure

c 8 For ideal hcp structure: = a 3

NaCl Structure

It consists of equal numbers of Na and Cl ions placed at alternate points of a simple cubic lattice. It can also be described as an fcc lattice with a basis consisting of an Na ion at 0 and Cl ion at a /2 x z y

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