PHZ 5941

Condensed Matter I
Problem Set 3 — Solution
3.1 Problem 4.2, A&M, Pg. 82.
(a) If all the ni are even, then the Bravais lattice has the form shown in the figure below.
n3 = 0 n3 = 1 n3 = 2
n2 n2 n2
5 5 5
4 4 4
3 3 3
2 2 2
1 1 1
0 1 2 3 4 5 n1 0 1 2 3 4 5 n1 0 1 2 3 4 5 n1

Note, this figure shows ‘slices” of the lattice with constant n3 . One can easily see that this
is a simple cubic lattice with lattice parameter 2.
Similarly, for all the ni odd the Bravais lattice (shown again in slices of constant n3 ) has
the following form.
n3 = 1 n3 = 2 n3 = 3
n2 n2 n2
5 5 5
4 4 4
3 3 3
2 2 2
1 1 1
0 1 2 3 4 5 n1 0 1 2 3 4 5 n1 0 1 2 3 4 5 n1

Again this is clearly a simple cubic lattice with lattice parameter 2.

(b) If we require n1 + n2 + n3 to be even, the resulting Bravais lattice (yet again shown as
“slices” of constant n3 ) has the following form.
 n3 = 0 n3 = 1 n3 = 2
n2 n2 n2
5 5 5
4 4 4
3 3 3
2 2 2
1 1 1
0 1 2 3 4 5 n1 0 1 2 3 4 5 n1 0 1 2 3 4 5 n1
This is an FCC lattice, with lattice parameter 2.

3.2 Problem 4.5, A&M, Pg. 82

(a) Determining the “ideal” value of the ration c/a is, of course, a simple geometry exercise.
Here’s one way to do it.
Recall that the primitive vectors which define the simple hexagonal structure can be
taken to be

~a1 = ax̂ (1)

√
a 3a
~a2 = x̂ + ŷ (2)
2 2
~a3 = cẑ (3)

and that the HCP structure is formed by adding the basis

v1 = ~0 (4)
~a1 + ~a2 ~a3
v2 = + (5)
3 2

(see Pg. 77 of A&M).

The origin, and the points defined by the vectors ~a1 , ~a2 and ~v2 then define a tetrahedron
(see Figure).

2
 r 1 r r 1r
v 2 = (a1 + a2 ) + a3
3 2
r
a2

O r
a1

For the ideal ratio of c/a, this tetrahedron corresponds to the stacking of perfect spheres,
and so the lengths of each edge of the tetrahedron must be equal. We therefore require

|~a1 | = |~a2 | = |~v2 |. (6)

which, since |~a1 | = |~a2 | = a implies that for ideal packing we must have

|~v2 | = a, (7)

or, equivalently,
! !
2~a1 + ~a2 ~a3 ~a1 + ~a2 ~a3 ~a1 · ~a1 + ~a1 · ~a2 + ~a2 · ~a2 ~a3 · ~a3
~v2 · ~v2 = a = + · + = +
3 2 3 2 9 4
(8)

And, since

~a1 · ~a1 = ~a2 · ~a2 = a2 (9)

1
~a1 · ~a2 = a2 (10)
2
~a3 · ~a3 = c2 (11)

it follows that

2 a2 + 2 12 a2 + a2 c2 a2 c2
a = + = + . (12)
9 4 3 4

Solving for c/a then gives the ideal ratio

s
c 8
= . (13)
a 3

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(b) The volume of a primitive cell for the simple Hexagonal lattice is readily found to be
√
2 3
vSH = |~a1 · (~a2 × ~a3 )| = ca (14)
2

(where ~a1 , ~a2 and ~a3 are the primitive vectors of the simple hexagonal lattice given in Part
(a)).
For the ideal ratio of c/a we then have
s √
8 3 3 √ 3
vSH = a = 2a (15)
3 2

In the HCP structure there are two atoms per primitive cell, thus the number density of
atoms in an HCP structure with lattice constant aHCP is
√
2 2
nHCP = = 3 (16)
vSH aHCP

The volume of a primitive cell in the BCC structure with lattice parameter aBCC is

1
vBCC = a3BCC (17)
2

and so the number density of atoms in a BCC structure is

1 2
nBCC = = (18)
vBCC a3BCC

It follows that if sodium transforms from BCC to HCP while its density remains fixed
(i.e. nBCC = nHCP ) then
√
2 2
= ⇒ aBCC = 21/6 aHCP (19)
a3BCC aHCP

3.3 Problem 4.8, A&M, Pg. 83

(a)Take the definition of a Bravais lattice to be a lattice of points whose arrangement and
orientation look exactly the same when viewed from any of the points in the lattice. Starting
from this definition we will construct three primitive vectors ~a1 , ~a2 and ~a3 and show that
they generate the Bravais lattice.
As stated in the problem, we construct the primitive vectors for the given Bravias lattice
(let’s call it lattice A) as follows. Consider a particular point P in this lattice. Let ~a1 be a

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vector which connects P to one of its nearest neighbors. Next, let P 0 be a lattice point that
is not on the line passing through P and parallel to ~a1 but which is as close to this line as
any other point. Take ~a2 to be the vector connecting P and P 0 . Finally, let P 00 be a lattice
point which is not in the plane passing through P and defined by the vectors ~a1 and ~a2 , but
which is as close to this plane as any other point in the lattice. Take ~a3 to be the vector
connecting P and P 00 .
By construction, these vectors are not collinear so the set of points

~ = n1~a1 + n2~a2 + n3~a3

R (20)

forms a Bravais lattice (it is clearly identical when viewed from any point in the lattice).
Let’s call it lattice B. Furthermore, it follows from the fact that Bravais lattices look
identical when viewed from all points that all points of the form (20) are in lattice A. The
only question is whether there are any points in lattice A which are not in lattice B.
Let’s assume there is such a point, call it Q. There will be at least one point Q0 in lattice
B for which the vector connecting Q and Q0 has the form

~r = x1~a1 + x2~a2 + x3~a3 (21)

with 0 ≤ xi < 1. If x3 6= 0 then Q0 does not lie in the plane passing through Q and defined
by the vectors ~a1 and ~a2 but is closer to this plane than P 00 is to P . This would imply that
lattice A does not look the same at the points P and Q0 which contradicts our assumption
that the lattice is a Bravais lattice.
If x3 = 0 similar arguments can made comparing the point Q0 as viewed from Q with
the point P 0 as viewed from P , and if x2 = x3 = 0 than Q0 is closer to Q than P is to it’s
nearest neighbor, which again leads to a contradiction. It follows that there is no such point
Q, and hence lattice A and lattice B are the same.
(b) Consider a discrete set of vectors with the property that if R ~ and R~ 0 are in the set,
~ +R
than so are the vectors R ~ 0 and R
~ −R~ 0 (i.e. the set is closed under vector addition and

subtraction).
Let us assume the lattice is not a Bravais lattice. This means that there are two vectors
R~ 1 and R~ 2 which specify two points from which the arrangement and orientation of the
~ 3 in the
lattice is not identical. This further implies that there must be at least one vector R
~1 − R
lattice with the property that R ~3 = R
~ 10 is in the lattice, but R
~2 − R
~3 = R
~ 0 is not in
2

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the lattice. However, the latter equation contradicts our assumption that the set is closed
under addition and subtraction. It follows that the lattice must be a Bravais lattice.
3.3 Problem 5.1, A&M, Pg. 93
(a)

~b1 · (~b2 × ~b3 ) = 2π(~a2 × ~a3 ) · (~b2 × ~b3 ) (22)

~a1 · (~a2 × ~a3 )
2π  
= (~a2 · ~b2 )(~a3 · ~b3 ) − (~a2 · ~b3 )(~a3 · ~b2 ) (23)
~a1 · (~a2 × ~a3 )
2π
= (2π)2 (24)
~a1 · (~a2 × ~a3 )
(2π)3
= (25)
~a1 · (~a2 × ~a3 )

Here we have used the identity

~ × B)
(A ~ · (C
~ × D)
~ = (A
~ · C)(
~ B ~ · D)
~ − (A
~ · D)(
~ B ~ · C).
~ (26)

and the fact that

~ai · ~bj = 2πδij (27)

(b)

2π~b2 × ~b3 2π ~b2 × 2π(~a1 × ~a2 )

= (28)
~b1 · (~b2 × ~b3 ) ~b1 · (~b2 × ~b3 ) ~a1 · (~a2 × ~a3 )
1~
= b2 × (~a1 × ~a2 ) (29)
2π
1
= (~a1 (~b2 · ~a2 ) − ~a2 (~b2 · ~a1 )) (30)
2π
= ~a1 (31)

Here we have used the result of (a), and the identity

~ × (B
A ~ × C)
~ = B(
~ A~ · C)
~ − C(
~ A~ · B)
~ (32)

and, again, the fact that

~ai · ~bj = 2πδij . (33)