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DV F DX DV F 0 DX: Symmetry Operations

1) Symmetry operations in physics include translations, rotations, reflections, and inversions that leave a system unchanged. 2) Emmy Noether showed in 1918 that for every continuous symmetry in nature there is a corresponding conservation law. 3) Crystal structures have translational symmetry generated by repeating a unit cell along lattice vectors. The combination of this translational symmetry with other symmetry operations of the unit cell basis determines the possible crystal symmetries.

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52 views17 pages

DV F DX DV F 0 DX: Symmetry Operations

1) Symmetry operations in physics include translations, rotations, reflections, and inversions that leave a system unchanged. 2) Emmy Noether showed in 1918 that for every continuous symmetry in nature there is a corresponding conservation law. 3) Crystal structures have translational symmetry generated by repeating a unit cell along lattice vectors. The combination of this translational symmetry with other symmetry operations of the unit cell basis determines the possible crystal symmetries.

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prakush_prakush
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© Attribution Non-Commercial (BY-NC)
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Symmetry Operations

brief remark about the general role of symmetry in modern physics


V(X)
x
V(X
1
)
X
1

V(X
2
)
X
2

x
dV
F
dx
=
change of momentum
x
x
dp
F
dt
=
V(X)
x
x
dV
F 0
dx
= =
conservation of momentum
x
dp
0
dt
=
X
1
X
2

x
p const. =
V(X
1
) = V(X
2
)
translational
symmetry
Emmy Noether 1918: Symmetry in nature
conservation law
1882 in Erlangen, Bavaria, Germany
1935 in Bryn Mawr, Pennsylvania, USA
Breaking the symmetry with magnetic field
Hamiltonian invariant with respect to rotation
Example for symmetry in QM
angular momentum conserved
J good quantum number
B=0 B=0
m
J
=-1
m
J
=0
m
J
=+1
E
Proton and Neutron 2 states of one particle
breaking the Isospin symmetry
Magnetic phase transition
T>T
C

T<T
C

Zeeman splitting
called basis
Symmetry in perfect single crystals
ideally perfect single crystal
infinite three-dimensional repetition of identical building blocks
basis
single atom simple molecule very complex molecular structure
Quantity of matter contained in the unit cell
Volume of space (parallelepiped)
fills all of space by translation of
discrete distances
Example: crystal from
square unit cell
hexagonal unit cell
there is often more than one reasonable choice of a repeat unit (or unit cell)
most obvious symmetry
of crystalline solid
Translational symmetry
3D crystalline solid 3 translational basis vectors a, b, c
translational operation T=n
1
a+n
2
b+n
3
c where n
1
, n
2
, n
3

arbitrary integers
-connects positions with identical atomic environments
a
b
n
1
=2
n
2
=1
-by parallel extensions the basis vectors form a parallelepiped,
the unit cell, of volume V=a(bxc)
concept of translational invariance is more general
physical property at r (e.g.,electron density) is also found at r=r+T
Set of operations T=n
1
a+n
2
b+n
3
c
r
defines
space lattice or Bravais lattice
purely geometrical concept
+
=
lattice
basis
crystal structure
r
lattice and translational vectors a, b,c are primitive if every point r equivalent to r
identical atomic arrangement
is created by T according to r=r+T
r
x
y
x
y
r
r=r+0.5 a
4

No integer!
no primitive
translation
vector
no primitive
unit cell
Primitive basis: minimum number of atoms
in the primitive (smallest)
unit cell which is
sufficient to characterize
crystal structure
r=r+ a
2

2 important examples for primitive and non primitive unit cells
face centered cubic
body centered cubic
a
1
=(, ,-) a
2
=(-, ,) a
3
=(,- ,)
a
1
=a(, ,0) a
2
=a(0, ,) a
3
=a(,0,)
Primitive cell: rhombohedron
primitive 1 2 3
V a a a = =
3
conventional
1 1
a V
4 4
=
1atom/V
primitive

4 atoms/V
conventinal

primitive
V = =
3
conventional
1 1
a V
2 2
1atom/V
primitive
2 atoms/V
conventinal

Lattice Symmetry
Symmetry of the basis point group symmetry
has to be consistent with symmetry of Bravais lattice
Limitation of possible structures
Operations (in addition to translation) which leave the crystal lattice invariant
No change of the
crystal after symmetry
operation
Reflection at a plane
(point group of the basis must be a point group of the lattice)
Rotation about an axis
H
2
o
NH
3

SF
5
Cl
Cr(C
6
H
6
)
2

= 2 -fold rotation axis
2
2t
n
t 2
= n -fold rotation axis
Click for more animations and details about point group theory
point inversion
) z , y , x ( ) z , y , x (
Glide = reflection + translation
Screw
= rotation + translation
Notation for the symmetry operations
Origin of the Symbols after Schnflies:
E:identity from the German Einheit =unity
C
n
:Rotation (clockwise) through an angle 2/n, with n integer
o: mirror plane from the German Spiegel=mirror
o
h
:horizontal mirror plane, perpendicular to the axis of highest symmetry
o
v
:vertical mirror plane, passing through the axis with the highest symmetry
* rotation by 2t/n degrees + reflection through plane perpendicular to rotation axis
*
n-fold rotations with n=1, 2, 3,4 and 6 are the only rotation symmetries

consistent with translational symmetry !
?
?
?
?
?
?
?
Intuitive example: pentagon
Two-dimensional crystal with lattice constant a in horizontal direction
a
1
2
Row A
(m-1)
a
m

Row B
X
1
m
If rotation by is a symmetry operation 1 and m positions of atoms in row B
X=p a
p integer!
= (m-1)a 2a + 2a cos = (m-3)a + 2a cos
1 s o cos
2
3 m p
cos
+
= o
p-m integer 1 s
p-m
o cos o
-1 1 0/2
1
2t
=1-fold
-2 1/2 /3 6 2 / t =6-fold
-3 0 /2 4 2 / t =4-fold
-4 -1/2 2/3
3 2 / t
=3-fold
-5 -1 2 2 / t =2-fold
order of
rotation
Plane lattices and their symmetries
5 two-dimensional lattice types
Point-group symmetry
of lattice: 2
2mm
2mm
4mm
6 mm
10 types of point groups (1, 1m, 2, 2mm,3, 3mm, 4, 4mm, 6, 6mm) possible basis:
Combination of point groups and translational symmetry 17 space groups
in 2D
Crystal=lattice+basis may have lower symmetry
Three-dimensional crystal systems
oblique lattice in 2D
triclinic lattice in 3D
= | = o = = , c b a
Special relations between axes and angles 14 Bravais (or space) lattices
7 crystal systems
There are 32 point groups in 3D, each compatible with one of the 7 classes
32 point groups and compound operations applied to 14 Bravais lattices
230 space groups or structures exist
Many important solids share a few relatively simple structures

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