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CHAPTER1
1. The vectors\u02c6 \u02c6 \u02c6
+ +
xy zand\u02c6 \u02c6 \u02c6
\u2212\u2212 +
xy zare in the directions of two body diagonals of a
cube. If\u03b8 is the angle between them, their scalar product gives cos \u03b8 = \u20131/3, whence
.
1
cos 1/3 90 19 28' 109 28'
\u2212
\u03b8=
= \u00b0+ \u00b0 = \u00b0
2. The plane (100) is normal to the x axis. It intercepts thea'axis at
and thec' axis
at
; therefore the indices referred to the primitive axes are (101). Similarly, the plane
(001) will have indices (011) when referred to primitive axes.
2a'
2c'
3. The central dot of the four is at distance
cos 60
a
ctn 60
cos 30
3
a
a
\u00b0=
\u00b0=
\u00b0
from each of the other three dots, as projected onto the basal plane. If
the (unprojected) dots are at the center of spheres in contact, then
2
2
2
a
c
a
,
2
3
\u239b \u239e\u239b \u239e
=
+\u239c \u239f
\u239c \u239f\u239d \u23a0
\u239d \u23a0
or
2
2
2
1
c 8
a
c ;
1.633.
3
4
a 3
=
=
1-1
CHAPTER2
1. The crystal plane with Miller indiceshkis a plane defined by the pointsa
\ue004
1/h,a2/k, and
. (a)
Two vectors that lie in the plane may be taken asa
3/\ue004
a
1/h \u2013a2/k and
1
3
/h
/
\u2212
\ue004
a
a
. But each of these vectors
gives zero as its scalar product with
1
2
h
k
3
= + +\ue004
G
a
a
a, so thatG must be perpendicular to the plane
. (b) If
is the unit normal to the plane, the interplanar spacing is
hk\ue004
\u02c6
n
1
\u02c6/h
\u22c5
n a
. But
,
whence
. (c) For a simple cubic lattice
\u02c6
/| |
=
n G G
1
d(hk ) G
/ h| | 2 / | G|
= \u22c5
= \u03c0
\ue004
a
G
\u02c6
\u02c6
\u02c6
(2 /a)(h
k
)
= \u03c0
+ +\ue004
G
x
y
z,
whence
2
2
2
2
2
2
2
1
G
h k
.
d
4
a
+ +
=
=
\u03c0
\ue004
1
2
3
1
1
3a
a 0
2
2
1
1
2. (a) Cell volume
3a
a 0
2
2
0
0
\u22c5 \u00d7 =\u2212
aa a
c
2
13a c.
2
=
2
3
1
2
1
2
3
2
3
\u02c6
\u02c6
4
1
1
(b)
2
3a
a 0
|
|
2
2
3a c
0
0
2
1\u02c6 \u02c6
(
), and similarly for , .
a
3
\u00d7
\u03c0
= \u03c0
=
\u2212
\u22c5 \u00d7
\u03c0
=
+
x
\u02c6
c
y z
a a
b
aa a
x y
b b

(c) Six vectors in the reciprocal lattice are shown as solid lines. The broken lines are the perpendicular bisectors at the midpoints. The inscribed hexagon forms the first Brillouin Zone.

3. By definition of the primitive reciprocal lattice vectors
3
3
2
3
3
1
1
2
1
2
3
3
1
2
3
3
C
(a a ) (a a ) (a a )
)
(2 ) /|(a a a )|
|(a a a ) |
/V .
BZ
V
(2
(2 )
\u00d7 \u22c5 \u00d7 \u00d7 \u00d7= \u03c0
\u22c5 \u00d7
\u22c5 \u00d7
= \u03c0
= \u03c0
For the vector identity, see G. A. Korn and T. M. Korn, Mathematical handbook for scientists and
engineers, McGraw-Hill, 1961, p. 147.
4. (a) This follows by forming
2-1
2
212
212
1 exp[ iM(a k)] 1 exp[iM(a k)]
|F|
1 exp[ i(a k)]
1 exp[i(a k)]
sin M(a k)
1 cosM(a k)
.
1 cos(a k)
sin (a k)
\u2212
\u2212
\u22c5\u2206
\u2212
\u22c5\u2206
=
\u22c5
\u2212
\u2212 \u22c5\u2206
\u2212
\u22c5\u2206
\u22c5\u2206
\u2212
\u22c5\u2206
=
=
\u2212
\u22c5\u2206
\u22c5\u2206
(b) The first zero in
1
sin M
2\u03b5occurs for\u03b5 = 2\u03c0/M. That this is the correct consideration follows from
1

zero,
as Mh is
an integer

1
1
sin M( h
) sin Mh cos
M cos Mh sin
M .
2
2
\u00b1
\u03c0+ \u03b5=
\u03c0
\u03b5+
\u03c0
\u03b5
\ue000\ue003\ue001 \ue003\ue002
\ue000\ue003\ue001 \ue003\ue002
12
5.
j 1
j 2
j 3
2 i(x v +y v +z v )
1 2 3
S (v v v ) f
e
j
\u2212 \u03c0
= \u03a3
Referred to an fcc lattice, the basis of diamond is
1 1 1
000;
.
4 4 4 Thus in the product
1 2 3
S(v v v ) S(fcc lattice) S (basis)
=
\u00d7
,
we take the lattice structure factor from (48), and for the basis
1
2
3
1
i
(v v v ).
2
S (basis) 1 e
\u2212 \u03c0++
= +

Now S(fcc) = 0 only if all indices are even or all indices are odd. If all indices are even the structure factor of the basis vanishes unless v1+ v2+ v3 = 4n, where n is an integer. For example, for the reflection (222) we have S(basis) = 1 + e\u2013i3\u03c0 = 0, and this reflection is forbidden.

3
2
1
G
0
0
3
3
0
0
3
2
3
2
2
0
0
0
2
2
2
0
6.
f
4 r ( a Gr) sin Gr exp ( 2r a ) dr
(4 G a ) dx x sin x exp ( 2x Ga )
(4 G a ) (4 Ga ) (1 r G a )
16 (4 G a ) .
\u221e
\u2212
=
\u03c0 \u03c0
\u2212
=
\u2212
=
+
+
\u222b
\u222b
0
The integral is not difficult; it is given as Dwight 860.81. Observe that f = 1 for G = 0 and f\u221d 1/G4 for
0
Ga
1.
>>
7. (a) The basis has one atom A at the origin and one atom
1
B at a.
2
The single Laue equation
defines a set of parallel planes in Fourier space. Intersections with a sphere are
a set of circles, so that the diffracted beams lie on a set of cones. (b) S(n) = f
2
(integer)
\u22c5\u2206
\u03c0\u00d7
a k=
A+ fB e\u2013i\u03c0n. For n odd, S = fA\u2013
2-2
of 00

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