ch02 Solucionário Do Kittel
ch02 Solucionário Do Kittel
ch02 Solucionário Do Kittel
1. The crystal plane with Miller indices hkA is a plane defined by the points a1/h, a2/k, and a3 / A . (a)
Two vectors that lie in the plane may be taken as a1/h – a2/k and a1 / h − a3 / A . But each of these vectors
gives zero as its scalar product with G = ha1 + ka 2 + Aa3 , so that G must be perpendicular to the plane
hkA . (b) If n̂ is the unit normal to the plane, the interplanar spacing is nˆ ⋅ a1/h . But nˆ = G / | G | ,
whence d(hkA) = G ⋅ a1 / h|G| = 2π / | G| . (c) For a simple cubic lattice G = (2π / a)(hxˆ + kyˆ + Azˆ ) ,
whence
1 G 2 h 2 + k 2 + A2
= = .
d 2 4π 2 a2
1 1
3a a 0
2 2
1 1
2. (a) Cell volume a1 ⋅ a 2 × a3 = − 3a a 0
2 2
0 0 c
1
= 3 a 2 c.
2
xˆ yˆ zˆ
a 2 × a3 4π 1 1
(b) b1 = 2π = − 3a a 0
| a1 ⋅ a 2 × a3 | 2
3a c 2 2
0 0 c
2π 1
= ( xˆ + yˆ ), and similarly for b 2 , b3 .
a 3
(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.
(a 2 × a 3 ) ⋅ (a 3 × a1 ) × (a1 × a 2 )
VBZ = (2π)3 = (2π)3 / | (a1 ⋅ a 2 × a 3 ) |
| (a1 ⋅ a 2 × a 3 ) |
3
= (2π)3 / VC .
For the vector identity, see G. A. Korn and T. M. Korn, Mathematical handbook for scientists and
engineers, McGraw-Hill, 1961, p. 147.
2-1
1 − exp[−iM(a ⋅ ∆k)] 1 − exp[iM(a ⋅ ∆k)]
|F|2 = ⋅
1 − exp[−i(a ⋅ ∆k)] 1 − exp[i(a ⋅ ∆k)]
1 − cos M(a ⋅ ∆k) sin 12 M(a ⋅ ∆k)
2
= = .
1 − cos(a ⋅ ∆k) sin 2 12 (a ⋅ ∆k)
1
(b) The first zero in sin Mε occurs for ε = 2π/M. That this is the correct consideration follows from
2
1 1 1
sin M(πh + ε) = sin πMh cos Mε + cos
πMh
sin Mε.
2
2 2
zero, ± 1
as Mh is
an integer
−2πi(x j v1 +y j v 2 +z j v3 )
5. S (v1 v 2 v 3 ) = f Σ e
j
1 1 1
Referred to an fcc lattice, the basis of diamond is 000; . Thus in the product
4 4 4
we take the lattice structure factor from (48), and for the basis
1
−i π (v1 + v 2 + v3 ).
S (basis) = 1 + e 2
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–i3π = 0, and this reflection is forbidden.
∞
f G = ∫ 4πr 2 (πa 0 Gr)−1 sin Gr exp ( −2r a 0 ) dr
3
6.
0
= (4 G 3a 0 ) (4 Ga 0 ) (1 + r G 2 a 0 ) 2
3 2
16 (4 + G 2 a 0 ) 2 .
2
The integral is not difficult; it is given as Dwight 860.81. Observe that f = 1 for G = 0 and f ∝ 1/G4 for
Ga 0 >> 1.
1
7. (a) The basis has one atom A at the origin and one atom B at a. The single Laue equation
2
a ⋅ ∆k = 2π × (integer) 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) = fA + fB e–iπn. For n odd, S = fA –
2-2
fB; for n even, S = fA + fB. (c) If fA = fB the atoms diffract identically, as if the primitive translation vector
1 1
were a and the diffraction condition ( a ⋅ ∆k ) = 2π × (integer).
2 2
2-3