Lecture 4/PHY412

Surjeet Singh
(1) We defined Reciprocal lattice (RL) and we
discussed why the concept of RL is of huge
significance in understanding structural and
physical properties of crystalline solids.
(2) Briefly, if set of points {R} defines a Bravais
lattice in direct space, and the corresponding
RL by set of points {G} in the reciprocal space,
then:
{R} {G}
Let us try to recall...
(3)
If, k = k k = G
Since k is known (wave vector of the incident x-ray),
measurement of k (scattered x-ray) will allow
determination of {G}. Fourier transform of {G} will yield
{R}.
Crystal
Interaction volume
p = k
P = k
(4)
k = k k = G
is Known as Laue condition of x-ray diffraction.
Braggs law (2dSin = ) of x-ray diffraction can
be derived from it. Thus, the only x-ray
scattered are the ones that satisfy the above
condition. So, the if condition of the previous
slide always hold (thats something we going to
prove this week).
(5)
Bigger picture
In the previous example, k was used to designate the
wave-vector of the incident x-rays but we can perform
similar experiments using neutrons or even electrons, and
typically the aim of such experiments is to determine the
crystal structure (x-ray and electrons) or the magnetic
structure (neutrons). However, k can also be the wave-
vector of the electrons (or phonons) of the crystal itself,
which will be used to understand the physical properties.
a 2a
3a
4a
0 -a
-2a -3a
(6)
Some Maths!
1D direct lattice (periodicity a); R = na
Corresponding reciprocal lattice:
Periodicity = 2/a
0 2/a 4/a 6/a
-6/a -4/a -2/a
Today ?
Discuss a couple of useful concepts: practical ways of
constructing a reciprocal lattice for a given direct lattice;
Brillouin zone; Lattice planes (Miller indices) and finally we
will end by showing a connection between the two
worlds: how the planes of real lattice are related to
reciprocal lattice vectors.
Reciprocal lattice
Some Properties of Reciprocal lattice:
Bravais lattice in direct space: R = na
Bravais lattice in the reciprocal space: G = (2m/a)
Therefore, G. R = 2mn
= 2 times some integer
Hence, e
iG.R
= 1
The result is true for higher dimensions also.
0 2/a 4/a 6/a
-6/a -4/a -2/a
Working definition of Reciprocal lattice:
R = n
1
a
1
+ n
2
a
2
+ n
3
a
3,
where a
1
, a
2
and a
3
are the
primitive lattice vectors
G = m
1
b
1
+ m
2
b
2
+ m
3
b (b
1
, b
2
and b
3
will be the primitive
vectors of the corresponding RL)
e
iG.R
= exp[i(... + m
i
n
i
b
i
.a
i
+ m
i
n
j
b
i
.a
j
+ ...)] = 1
For this to be equal to 1, we set: b
i
. a
j
= 2
ij
b
x
= 2
a
y
x a
z
a
x
. (a
y
x a
z
)
Example:
Find the Reciprocal lattice of a FCC Bravais lattice.
What is the lattice defined by b
1
, b
2
and b
3
?
You may be wondering why is it important for me to
know what the reciprocal lattice of a FCC Bravais
lattice looks like?
Well, the answer here. You care about it because it
helps you figure out the (first) Brillouin zone.
How?
ANSWER: The (first) Brillouin zone is nothing but the
Wigner-Seitz cell of the reciprocal lattice!
So what... I mean, how knowing a BZ helps!
Let me first remind you how to construct the
Wigner-Seitz cells:
Adapted from Ashcroft and Mermin
Reciprocal lattice and physical waves in the crystal
Properties of Reciprocal lattice
a. The region [-/a, /a] is called the (first ) BRILLOUIN
zone.
b. Any point k
2
outside the Brillouin zone has a copy k
1
inside it, such that, k
1
= k
2
+ G.
c. Or, any physical wave within the crystal having a wave-
vector k will look exactly the same as one having the
wave-vector k +G
0 2/a 4/a 6/a -6/a -4/a -2/a
Brillouin zones for a square lattice:
Lecture notes by Kantimay Das Gupta, IIT Bombay
Brillouin zones of a FCC lattice:
Remember, the reciprocal lattice of FCC is BCC !
Ashcroft and Mermin
Lattice planes:
a
1
a
2
Lattice planes in 3D:
Two families of representative lattice planes in a
cubic lattice
Observations and facts about the lattice planes:
A lattice plane is an imaginary plane through the
lattice points with the following properties:
(1) Its a member of a family of parallel, equally
spaced lattice planes which taken together contains
all points of the lattice.
(2) A lattice plane contains infinite lattice points; and
a family of lattice planes contains infinite members
(3) The smaller the inter-planar spacing the lesser
the density of lattice points (non-parallel families)
(4) The vector perpendicular to lattice planes is
unique
How should we designate a family of planes
(Notion of Miller indices):
A family of planes is designated by the so-called
Miller indices. Its an ordered triplet ususally written
as (hkl) or (h, k, l).
To understand this point lets look at the following
example:
Some more examples
a
1
a
2
(hk)
Direct lattice
h , k = ?
a
1
a
2
(11)
Direct lattice
2/a
1
2/a
2
G
Reciprocal lattice
a
1
a
2
2/a
2
2/a
1
G
(11)
Slope of G =
Inclination of lattice planes (11) =
For any family of lattice planes in direct lattice there are
reciprocal lattice vectors perpendicular to the planes
(1)
a
1
a
2
2/a
1
2/a
2
G
(11)
The shortest reciprocal vector perpendicular to a family of
Planes has a length = 2/d
Thanks!