Scribd
Upload
10 views32 pages

02 Lecture Lattices

Uploaded by

quanlial
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PPT, PDF, TXT or read online on Scribd
10 views32 pages

02 Lecture Lattices

Uploaded by

quanlial
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PPT, PDF, TXT or read online on Scribd
You are on page 1/ 32

Lattices (Handout 2)

• Real Space Lattices

• Reciprocal Lattices
SrTiO3
CsCl
Silicon and diamond
Polonium
Some basic definitions
• A lattice is a mathematical array of points, each of which is indistinguishable from
other points and each of which has identical surroundings

 
 1-D: r ua
a

   
3-D: ruvw ua  vb  w c

a, b, c vectors (known as
 lattice translation
c 
 b vectors)
a
u , v, w integers
Some basic definitions
 
• The vectors a b and c define a unit cell, which can generate
the entire lattice by repeated translations -- once the unit cell
is defined, the rest of the structure is defined as well
• A primitive unit cell has
one lattice point/cell
• Sometimes non-primitive unit
cells best illustrate the
symmetry of a structure

• Choice of unit cell dictated by


convenience and convention
Some basic definitions
• A basis is any object or combination of objects (usually
atoms or molecules) that can be assigned to a lattice point
(and hence to every lattice point)

lattice basis

or

• The crystal structure is a combination of lattice + basis


SrTiO3
1. How many atoms per unit cell?

2. How many lattice points per unit cell?

CsCl 3. What is the position of the lattice?

4. What it the basis?

5. What is the name of the Bravais lattices?

Polonium 6. What does the powder x-ray diffraction


patterns look like if the lattice parameters of
both materals are same ~4 A?
Basis vectors

The basis vectors point to objects within the unit cell.


Start with a lattice point as the origin.

r basis = n1 a + n2 b + n3 c , where n1 , n2 , and n3 are


less then 1.

For 1-d, locate objects with only n1 ‘s


For 2-d, locate objects with (n1 , n2 ) pairs.
For 3-d, locate objects with (n1 , n2 , n3) coordinates.
Symmetry
• Symmetry is a property of an object in which various
parts are related to each other by operations known as
symmetry operations
• Symmetry shows up everywhere (art, music, science,
etc.); it may be either obvious or hidden
• Just as we decorate lattice points with a basis, we can
assign symmetry operations to them

• However, the symmetry operations must be consistent


with each other and with the translations of the lattice
Symmetry operations

   rotation (about axis A)


T T T =360°/n where n is the
 throw or fold of the axis
translation
(n = 1, 2, 3, 4 or 6)
A
m

mirror reflection inversion


change the handedness (left/right) of the object
Rotational Symmetry

The allowed rotations are limited by translation.

If b is a lattice vector,
so must b’ and b” b” b
Therefore, b’ + b” = mb, where
m is an integer. b’

Therefore, 2|b|cos(2/n) =m|b| 2/n


cos(2/n) = m/2.

m can only be 0,  1, 


and n = 1,2,3,4,6
Symmetry operations

combine rotation +
i inversion:
rotoinversion

four-fold rotoinversion: 4
4

combine rotation +
m reflection:
rotoreflection
~
two-fold rotoreflection: 2
Symmetry operations
g
½
t/2
¾
t

t/2 ¼
t/4
0

glide -- combination of screw -- combination of


translation with reflection translation with rotation
(41 screw shown here)
Symmetry operations and space lattices

• We can combine symmetry operations with space


lattices by associating those operations with a lattice
point
• Since each lattice point must have identical
surroundings, we must have the same operation(s)
present at every lattice point
• Easiest way to visualize the effects of this starting with
1-D and then progressing from 2-D to 3-D
Point symmetry - revisited

In 1-d, an inversion (r - r), a mirror, and a 2-fold


rotation are equivalent.

In 2-d, an inversion is equivalent to a 2-fold rotation, but a mirror


operation changes the handedness.

In 3-d, both inversion, and mirror operation change the handedness


of the coordinate system.
Point symmetry - revisited

Z
Mirror through XZ plane
Z

Y’

X X’

X
Inversion Y’

Z’
One dimensional crystal structure

lattice basis

now place a two-fold axis at each point:

this generates a mirror plane in between of each lattice point

m m m m m m m m
translations + symmetry operations  new symmetry operations
Stacking of 1-D lattices
start with a 1-D lattice:


b 

a
add a second row in 2-D at an arbitrary location; this
generates a lattice with a parallelogram unit cell:
 
a b;  90
Stacking of 1-D lattices
next, add a mirror plane at each 1-D lattice point:

but an arbitrary placement of the second 1-D row


is not consistent with mirror symmetry at each point
Stacking of 1-D lattices


b 

a

this generates a lattice with a rectangular unit cell

 
a b;  90
Stacking of 1-D lattices
However, there is another way to stack 1-D rows to form a
rectangular unit cell and ensure that each lattice point has
identical surroundings -- this gives a centered unit cell:


b


a
2-D lattices
• In 2-D there are five space lattices and four crystal systems:

 parallelogram   1 and 2-fold


a b;  90
rotation
 rectangle (primitive)  
a b;  90 2mm
 rectangle (centered)
 square  
a b;  90 4mm
 rhombus  
a b;  60 6mm

note that each space lattice has a minimum symmetry


associated with it
3-D lattices
• When we stack the 2-D lattices into three dimensions, we find
that there are seven crystal systems that are allowed:
7 Crystal Systems
14 Bravais lattices
Why not base centered tetragonal?
230 Space group
The number of permutations of Bravais lattices with rotation and screw axes, mirror and
glide planes, plus points of inversion is finite: there are only 230 unique combinations for
three-dimensional symmetry, and these combinations are known as the 230 space groups.
3-D lattices
• In two dimensions we have
four crystal systems and
five space lattices
• In three dimensions we
have seven crystal systems
and 14 space lattices
• The 14 3-D space lattices
are known as the Bravais
lattices
3-D lattices
• Each of the seven crystal systems has a minimum symmetry
associated with it:

You might also like