R. I.

Badran

Solid State Physics

The Reciprocal Lattice

Two types of lattice are of a great importance:
1. Reciprocal lattice
2. Direct lattice (which is the Bravais lattice that determines a
given reciprocal lattice).
What is a reciprocal lattice?
A reciprocal lattice is regarded as a geometrical abstraction. It is
essentially identical to a "wave vector" k-space.
Definition:

Since we know that R may construct a set of points of a Bravais

lattice, thus a reciprocal lattice can be defined as:
- The collection of all wave vectors that yield plane waves with

R
a period of the Bravais lattice.[Note: any
vector is a

possible period of the Bravais lattice]

iG R
e

1
G
G
- A collection of vectors
satisfying
or R 2n ,
where n is an integer and is defined as: k1n1 k 2 n2 k 3 n3 .

G
Here , is
a reciprocal
lattice vector which can be defined

as: G k1b1 k 2 b2 k3b3 , where k1, k2 and k3 are integers.

[Note: In some text books you may find that G K ].

- The reciprocal lattice vector G which generates the

reciprocal lattice is constructed from the linear combination

a2 a3

of the primitive vectors b1 ,b2 , and b3 , where b1 2
Vcell

and b2 and b3 can be obtained from cyclic permutation of 1 2

3.
Notes:

b
G

n
1. Since
, this implies that i a j 2 ij , where

ij 1 if i=j and ij 0 if ij.

2. The two lattices (reciprocal and direct) are related by the
above definitions in 1.
3. Rotating a crystal means rotating both the direct and
reciprocal lattices.

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R. I. Badran

Solid State Physics

4. The direct crystal lattice has the dimension of [L] while the
reciprocal lattice has the dimension of [L-1].
Why do we need a reciprocal lattice?
Reciprocal lattice provides a simple geometrical basis for
understanding:
a) All things of "wave nature" (like behavior of electron and
lattice vibrations in crystals.
b) The geometry of x-ray and electron diffraction patterns.
Reciprocal lattice to simple cubic (sc) lattice:
The simple cubic primitive lattice, which has the primitive

vectors a1 ax , a2 ay and a3 az , has a volume of cell equal

to Vcell a .
The corresponding primitive vectors in the reciprocal lattice can be
obtained as:

2
a 2 ( y z)
b

(
) x ,
b1 2

1
a
a3

2
a 2 ( z x )
b
b2 2
2 ( ) y and
3
a
a
2

2
a ( x y )
b3 ( ) z .

b3 2
a
a3
3

The corresponding volume in reciprocal lattice is (

2 3 (2 ) 3
)
.
a
Vcell

It must be noted that the reciprocal lattice of a sc is also a sc but

2
with lattice constant of ( ) .
a
Reciprocal lattice to bcc lattice:
When a set of primitive vectors for the bcc lattice are given by

( x y z) , as shown in figure 11,

a1 ax , a2 ay and 3
2
where a is the side of the conventional cell, the primitive lattice
vectors of the reciprocal lattice are found as:

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R. I. Badran

Solid State Physics

a2
y ( x y z)]

2
b1 2
a3
2
2
a
[ ( x y z) x ]

b2 2 2
a3
2
2

[a ( x y )]
b3 2
a3
2
[

2
b
1 ( )( x z) ,
a

2
b2 ( )( y z) ,
a

2
b
3 ( )(2 z) .
a

You can easily show that the volume of primitive reciprocal lattice
2
is 2( ) 3 . This can be compared to the volume of primitive direct
a

lattice Vcell

a3

.
2

Notes:
a) The bcc primitive lattice vectors in the reciprocal lattice are
just the primitive vectors of an fcc lattice.

b) The general reciprocal lattice vector G k1b1 k 2 b2 k3b3 has

a special expression for bcc primitive reciprocal lattice
2
G
[(k 2 k3 ) x (k1 k3 ) y (k1 k 2 ) z] .
as:
a
Reciprocal lattice to fcc lattice:
We know that the primitive vectors of fcc primitive lattice may

a
a
a
be defined by: a1 ( y z) , a2 ( x z) and a3 ( y x ) ,
2
2
2
[see figure 10]. Thus the primitive vectors in the reciprocal
lattice are:

2
2
2
b1 ( )( x y z) , b2 ( )( x y z) and b3 ( )( x y z) .
a
a
a
It must be noted that these latter vectors are the primitive
lattice vectors of a bcc lattice.

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R. I. Badran

Solid State Physics

The volume of the primitive cell of the reciprocal lattice

2
is 4( ) 3 . [Try to find G for the fcc primitive reciprocal lattice, for
a

example, when k1=1, k2= -2 and k3 =3].

Reciprocal lattice to simple hexagonal lattice:

Recalling the primitive vectors of a simple hexagonal a1

ax ,

a
a2 ( x 3 y ) and a3 cz , as shown in figure 15.
2
The corresponding primitive vectors can simply be determined

a2 a3
a3 a1
a1 a2
by using: b1 2
, b2 2
and b3 2
.
Vcell
Vcell
Vcell
The volume of primitive cell for the direct lattice is Vcell

a
( x 3 y ) cz

b1 2 2
3 2
a c
2

cz ax
b2 2
3 2
a c
2

3 2
a c.
2

2
1
b
y ) ,
1 ( )( x
a
3

2 2
b
y ) and
2 ( )(
a
3

a
ax ( x 3 y )

2
b3 2
3 2
a c
2

2
b3 ( ) z .
c

Using a common origin for both reciprocal and direct lattices,

we can build up the primitive reciprocal lattice by determining

2
1
2 2

y ) and b2 ( )(
y ) and
the magnitudes of b1 ( )( x
a
a
3
3
the angle between them. This will give you a clue how the
base of the new reciprocal lattice looks like. Thus both vectors
43

R. I. Badran

have

Solid State Physics

the

magnitude

4
b

b
).
of 1
2 (
3a

Obviously

the

2
magnitude of the third vector is b3 ( ) . These can be
c
compared to the magnitudes of the primitive vectors,

a1 a ,

a2 a and a3 c , respectively, as shown in figures 27 and

b
b
28). The angle between the two vectors 1 and 2 can be

b1 b2
directly obtained as cos ( ) 120 .
b1 b2
1

Now what is left is to determine the angle between the vectors

a1 and b1 which is obtained by applying the relation

bi a j 2 ij and it is (/6). This implies the necessity to

rotate the plane of the two reciprocal vectors b1 and b2 by /6.

(See figure 27).

b2

a2

a1
30

b1

Figure 27: The primitive vectors of base of simple

hexagonal conventional cell in direct space lattice as
compared to their corresponding vectors in reciprocal
space lattice.

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R. I. Badran

Solid State Physics

2
b3
c

a3 c

4
b1
3a

a1 a
60

60

a2 a

4
b2
3a

Figure 28: The three primitive vectors of simple

hexagonal conventional cell in direct space lattice
as compared to their corresponding vectors in
reciprocal space lattice.

Conclusion:
This shows that the reciprocal lattice to a simple hexagonal
lattice with lattice constant a and c is also another simple
hexagonal lattice, with lattice constants

4
2
and
, but
c
3a

rotated through /6 about the c-axis with respect to the direct

lattice (in a clockwise direction). [See problem 5.2.a in Solid
State Physics by N. Ashcroft & N. Mermin].

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