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ai a j * = 2 ij
Real (direct) space Reciprocal space
Note: The real space and reciprocal space vectors are not necessarily in the same direction
Laue Equations
Another way of expression the diffraction condition k = G is by the Laue equations, which can be derived by taking the scalar product of k and G with a1, a2, and a3
a1 k = 21 a2 k = 22
(Laue Equations)
a3 k = 23
These equations have a simple interpretation: for a Bragg reflection, k must lie on a certain cone about the direction of a1 (for example). Likewise, it must be on a cone for a2 and a3. Thus, a Bragg reflection which satisfies all three conditions must lie at the intersection of these three cones, which is at a point in reciprocal space.
k k
Bragg reflections
Experimental setup
k G k
Brillouin Zones
A Brillouin Zone is defined as a Wigner-Seitz primitive cell in the reciprocal lattice. To find this, draw the reciprocal lattice. Then, use the same algorithm as for finding the Wigner-Seitz primitive cell in real space (draw vectors to all the nearest reciprocal lattice points, then bisect them. The resulting figure is your cell). The nice result of this is that it has a direct relation to the diffraction condition: k (1/2 G) = (1/2 G)2
Point D in reciprocal space GD
Wigner-Seitz cell
Therefore, the Brillouin Zone exhibits all wavevectors, k, which can be Bragg-reflected by a crystal
a2 a3 a3 a1 a1 a2 b1 = 2 b2 = 2 b3 = 2 a1 a2 a3 a1 a2 a3 a1 a2 a3
We get the following primitive translation vectors of the reciprocal lattice:
b1 = (2/a)x b2 = (2/a)y b3 = (2/a)z
The volume of the primitive cell is a3 (2 pts./unit cell) So, the primitive translation vectors in reciprocal space are:
b1 = 2/a (x + y) b2 = 2/a (y + z) b3 = 2/a (z + x)
The volume of the primitive cell is 1/4 a3 (4 pts./unit cell) So, the primitive translation vectors in reciprocal space are:
b1 = (2/a) (x + y - z) b2 = (2/a) (-x+y + z) b3 = (2/a) (x - y + z)
This is, of course, the BCC lattice The volume of this cell is 4(2/a)3 in reciprocal space
and
(2/a)(+/-2x) (2/a)(+/-2y) (2/a)(+/-2z)
(6 of these vectors)
Summary
So, the reciprocal space for a simple cubic lattice is simple cubic, but the other cubic lattice (BCC, FCC) are more confusing:
Lattice Real Space Lattice k-space
The BCC and FCC lattices are Fourier transforms of one another
bcc WS cell
fcc BZ
fcc WS cell
bcc BZ