PHY 140A: Solid State Physics

Solution to Homework #1
TA: Xun Jia1
October 2, 2006

1 Email:

jiaxun@physics.ucla.edu

Fall 2006

c Xun Jia (October 2, 2006)

Physics 140A

Problem #1
In each of the following cases indicate whether the structure is a Bravais lattice. If it
is, give 3 primitive vectors; if it is not describe it as Bravais lattice with as small as
possible a basis.
z

o
x
y

(a)

(b)

(c)

(d)

Figure 1: (a) Coordinate system, (b)Base centered cubic, (c) Sidecentered cubic, (d) Edge-centered cubic.

(a). Base-centered cubic (simple cubic with additional points in the centers of the
horizontal faces of the cubic cell).
(b). Side-centered cubic (simple cubic with additional points in the centers of the
vertical faces of the cubic cell).
(c). Edge-centered cubic (simple cubic with additional points at the midpoints of
the lines join nearest neighbors).
Solution:
Construct the coordinate as illustrated in Fig. 1(a). Let the lattice constant
for the corresponding simple cubic be a. Denote the unit vector along x, y, and z
directions by x, y, and z, respectively.

Fall 2006

c Xun Jia (October 2, 2006)

Physics 140A

(a). It is a Bravais lattice, since from whichever point the lattice is viewed, it appears
exactly the same. Indeed, if we take three primitive vectors as a1 = a2 x a2 y,
a2 = a2 x + a2 y, a3 = az, then every lattice point will be at R = n1 a1 + n2 a2 +
n3 a3 , where n1 , n2 , n3 are integers.
(b). It is not a Bravais lattice, since there are lattice points at R1 = a2 x + a2 z and
R2 = a2 y + a2 z, but there is no point at R1 + R2 = a2 x + a2 y + az. If we consider
points at R1 , R2 , and R3 = 0 as a basis, then the lattice becomes a Bravais
lattice.
(c). It is not a Bravais lattice, since there are lattice points at R1 = a2 x and R2 =
a
y, but there is no point at R1 + R2 = a2 x + a2 y. If we consider points at R1 ,
2
R2 , R3 = a2 z, and R4 = 0 as a basis, then the lattice becomes a Bravais lattice.
Those three types of lattices are shown in Fig. 1.

Problem #2
What is the Bravais lattice formed by all points with Cartesian coordinates (n1 , n2 , n3 )
if:
(a). The ni are all even?
(b). The ni are all even or all odd?
(c). The sum of the ni is required to be even?
Solution:
(a). If the ni are all even, the lattice will be simple cubic with lattice constants
a = 2.
(b). If the ni are all even or all odd, the lattice will be body-centered cubic with
lattice constants a = 2. Indeed, if we shift the lattice in part (a) as (n1 , n2 , n3 )
(n1 + 1, n2 + 1, n3 + 1), we will get a lattice with ni all odd, and each new lattice
point is in the center of the cubic of old lattice; hence we obtain a body-centered
cubic lattice.
(c). If the sum of the ni is required to be even, the lattice will be face-centered
cubic with lattice constants a = 2. Indeed, if we shift the lattice in part (a)
as (n1 , n2 , n3 ) (n1 + 1, n2 + 1, n3 ), (n1 , n2 , n3 ) (n1 , n2 + 1, n3 + 1), and
(n1 , n2 , n3 ) (n1 + 1, n2 , n3 + 1), the sum of ni are still even, and each new
lattice point is in the center of each square of the old lattice; hence we obtain a
face-centered cubic lattice.

Fall 2006

c Xun Jia (October 2, 2006)

Physics 140A

Problem #3
The face-centered cubic is the most dense and the simple cubic is the least dense
of the three cubic Bravais lattices. The diamond structure is less dense than any
of these. One measure of this is that the coordination numbers are : fcc, 12; bcc,
8; sc, 6; diamond, 4. Another is the following: suppose identical solid spheres are
distributed through space in such a way that their centers lie on the points of each of
these four structures, and spheres on (nearest) neighboring points just touch, without
overlapping. (Such an arrangement of spheres is called a close-packing arrangement.)
Show that the ratio of the volume contained in the spheres to the total volume (the
packing fraction) for each of the four structures is:

(a). fcc: 2/6 = 0.74

(b). bcc: 3/8 = 0.68

(c). sc: /6 = 0.52

(d). diamond: 3/16 = 0.34

Solution:
As in Fig. 2, Let the radius of the spheres be r, and the length of the cube be
a, then:

consider
the
side
diagonal,
as
in
Fig.
2(a),
we
have
2a = 4r,
(a). For fcc lattice,

thus a = 4r/ 2. Moreover, there are 8 spheres at the corners, and 1/8 of each
is contained in the cube; there are 6 spheres on the sides, and 1/2 of each is
contained in the cube; thus the number of spheres in the cube is 8 81 +6 12 = 4.
Therefore, the packing fraction is:
4r3
3 = 2 = 0.74
6
4r
( )3
2

(1)

(b). For bcc lattice,consider the body diagonal, as in Fig. 2(b), we have 3a = 4r,
thus a = 4r/ 3. Moreover, there are 8 spheres at the corners, and 1/8 of
each is contained in the cube; there are 1 spheres at the center, which is totally
contained in the cube; thus the number of spheres in the cube is 8 81 +11 = 2.
Therefore, the packing fraction is:
4r3
2
3 = 3 = 0.68
8
4r
( )3
3
3

(2)

Fall 2006

c Xun Jia (October 2, 2006)

Physics 140A

(c). For sc lattice, consider the side, as in Fig. 2(c), we have a = 2r. Moreover, there
are 8 spheres at the corners, and 1/8 of each is contained in the cube; thus the
number of spheres in the cube is 8 81 = 1. Therefore, the packing fraction is:
4r3
3 = = 0.52
(2r)3
6

(3)

(d). For diamond lattice, it requires thinking carefully.

Consider the body diagonal,

as in Fig. 2(d). From simple geometry, we have 3a = 8r, thus a = 8r/ 3.

(In fact, if you take a plane containing the side diagonals on the top surface
and bottom surface, you will find why those 5 big spheres in Fig. 2(d) are
packing along the body diagonal. This actually follows from the similarity
among triangles.) Moreover, there are 8 spheres at the corners, and 1/8 of each
is contained in the cube; there are 6 spheres on the sides, and 1/2 of each is
contained in the cube; there are 4 spheres at the center of each tetrahedron,

(a)

(b)

(c)

(d)

Figure 2: (a) Face-centered cubic. (b)Body-centered cubic. (c) Simple

cubic, (d) Diamond.

Fall 2006

c Xun Jia (October 2, 2006)

Physics 140A

which are all contained in the cube; thus the number of spheres in the cube is
8 18 + 6 12 + 4 1 = 8. Therefore, the packing fraction is:
4r3
3 = 3 = 0.34
16
8r
( )3
3

(4)

Problem #4
Draw a picture that explains the first end note in Takemura and Fujihisas article, High-pressure structural phase transition in indium, from Phys. Rev. B, 47,
8465(1993). Label the a and b lattice parameters for the fct and bct unit cells.
Starting values can be found at Webelements. Why is fct not considered a Bravais
lattice?
http://prola.aps.org/pdf/PRB/v47/i14/p8465_1
http://www.webelements.com/webelements/elements/text/In/xtal.html
Solution:
The first end note in the paper is quoted here:
The correct unit cell for indium is body-centered tetragonal (bct) belonging to
17
the space group D4h
I 4/mmm (No. 139). However, since the deviation from fcc
is small ( 7%), we prefer to use a face-centered tetragonal (fct) cell. The fct cell is
easy to compare with the fcc as well as with the presently found fco structure.
By looking up at the webelements webpage, the starting lattice parameters are
a = b = 325.23pm and c = 494.61pm.the bct lattice are as in Fig. 3(a). This is a
Bravais lattice, and is the unit cell for indium.
However, we can consider this lattice structure in a different way. Consider
Fig. 3(c), which is just the bct lattice of indium with 4 unit cells. If we focus on those
atoms and bonds in dark color, we will really get a fct lattice structure. The lattice
constants a0 and c0 for this fct are:

a0 =
2a = 459.94pm
(5)
0
c = c = 494.61pm
(6)
and hence c0 /a0 = 1.07, that is why this fct structure differs from fcc by only 7%. For
the purpose of making comparison with fcc and fco, they chose use this fct structure,
as shown in Fig. 3(b), to represent indium lattice in the paper.
Face-centered tetragonal is, however, not considered to be a Bravais lattice. The
preferred unit cell is the smallest one that will reproduce the lattice when repeated in
space. Since the fct unit cell constructed from bct lattice will always be larger than
the bct unit cell, see Fig. 3(c), we consider bct, rather than fct, to be the Bravais
5

Fall 2006

c Xun Jia (October 2, 2006)

Physics 140A

(a)

(b)

(c)
Figure 3: (a)Body-centered tetragonal. (b)Face-centered tetragonal.
(c) Construction of fct based on bct lattice.

lattice for such kind of lattice structure, though those two views are equivalent to
each other.

Problem #5
Potassium hydroxide (KOH) etches silicon planes with rate ratios {110} > {100} >
{111} 400 : 200 : 1. Approximate these large numbers as infinity. Say you have a
200 micron thick wafer oriented in the (100) direction, coated with silicon oxide (not
etched by KOH). Calculate the dimensions of the initial (front side) rectangular hole
in the oxide required to produce a 5 micron by 100 micron suspended oxide film on
the backside after a KOH etch. Write a sentence or two commenting on the veracity
(or truthiness) of the following statement: the {111} planes of crystalline silicon are
6

Fall 2006

c Xun Jia (October 2, 2006)

Physics 140A

etched the most slowly by KOH because they are close-packed.

Solution:

part to be etched

SiO

Si wafer
x

h=200

{111}
{100}

SiO

Figure 4: The sketch of the structure in etching the wafer.

If we approximate those large numbers in the etching rate ratios as infinity,

the etch will only occur along direction {110} and {100}, that is, the surface in the
crystal we obtain after etching will be {111} plane. The side view of Si wafer, which
is covered by SiO on both sides, is illustrated in Fig. 4. Then the question is, if we
want a hole with dimension x0 at the bottom side after etching, how large the size x
should be for the initial hole on the top, suppose the angle is known. From simple
geometry, the answer is:
2h
(7)
x = x0 +
tan
Since the angle is the angle between {100} and {111} plane, which is also the
angle between those two vectors, we can compute as:
!

{100} {111}

= 54.7
(8)
= arccos
|{100}| |{111}|
Therefore, since we want the dimension of rectangle on bottom side to be 5m by
100m, from equation (7), let x0 = 5m, we get x = 287.8m; let x0 = 100m,
we get x = 382.8m. Namely, the required rectangular hole on the top should be
287.8m by 382.8m.
The {111} planes are not close-packed, because silicon is diamond structure,
not fcc. Nonetheless, these planes are more close packed than the others, and thus
have fewer dangling bonds vulnerable to chemical attack.