Spring 07 - EE 221 Problem Set 1 Solution

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EE 221

Problem Set 1 Solution

Problem 1 For the fcc copper (lattice parameter 3.61 A), the bcc aluminum (lattice parameter 2.022 A), and silicon (lattice parameter 5.4310 A), which has diamond structure determine 1) FCC copper (lattice parameter 3.61 A) a) The number of nearest neighbor atoms
The number of nearest neighbor atoms = 12

b) The nearest neighbor distance.


The nearest neighbor distance.

a a d2 = + 2 2

2 ( 3.61Ao ) a2 a 2 d= = = = 2.55 Ao 2 2 2 c) the number of atoms cm3


4 4 = = 8.5 1022 cm 3 3 8 3 a ( 3.6110 )

The number of atoms cm3 =

2) bcc aluminum (lattice parameter 2.022 A)

a) The number of nearest neighbor atoms


The number of nearest neighbor atoms = 8

b) The nearest neighbor distance.

d 2 = a2 +

2a

3 ( 2.022 Ao ) a 3 = = 1.75 Ao d= 2 2

d
2a

c) The number of atoms cm3


1 8 ( 8 ) + 1 2 2 = = = 2.42 1023 atoms cm3 The number of atoms cm3 = 3 3 8 3 a a ( 2.022 10 ) 3) Silicon lattice parameter 5.4310 A)

a) The number of nearest neighbor atoms


The number of nearest neighbor atoms = 4

b) The nearest neighbor distance


= 3 ( 5.431cm ) 3a = = 2.352cm 4 4

c) The number of atoms cm3

8 8 = = 4.99 1022 atoms cm 3 3 8 3 a ( 5.43110 )

Problem 2:

Prove that in a cubic crystal, the [hkl] direction is perpendicular to the (hkl) plane.
Solution:

The intercepts of the plane (hkl) with Cartesian coordinates is reversal of finding Miller indices. That will be:

c c c x= , y= ,z= h k l where constant c is multiplier to transforms the reciprocal of intercept to whole number. The three point in the plane are:
c c c P , 0, 0 , P2 0, , 0 , P3 0, 0, 1 l h k The two non-parallel lines in that plane, namely:

f = q=

cl az + ax ck cl az + a y ck

A is perpendicular to f and q A = f q = h k ax + a y + a y + az l l

The line [hkl] can be written as


B = hax + ka y + laz

In order B will be perpendicular to A, the direction, A should be parallel to B


ax h l A B = h ay k l k ay 1 = 0+0+0 = 0 l

Hence [hkl] is perpendicular to plane (hkl).


Problem 3:

Carbon in the form of diamond has lattice parameter a=3.658 A. Density of diamond is 3.51 g cm3 . How many atoms of carbon does the diamond unit cell contain?
Solution:

( # 0f atoms/cm ) ( atom weight ) Dencity =


3

Avagadros constant

# of atoms=

3.51( gr/cm3 ) 6.2 1023 ( atoms/mole ) 12.011( gr/mol )

= 1.759 1023

atoms/cm3

# of atoms in crystal= (1.759 1023 atoms / cm3 )( 3.658 108 cm ) = 8.61 atoms

Problem 4:

Find the maximum fractions of the unit cell volume that can be filled by hard sphere in the sc, bcc, fcc, hexagonal and diamond structure.
Solution:

(a) For the simple cubic, a unit cell contains 1/8 of a sphere at each of the eight corners for a total of one sphere. Maximum fraction of cell filled = no. of sphere volume of each sphere / unit cell volume
4 a 1 3 2 = = 0.52 52% a3 6
b) For a body-centered cubic, a unit cell contains 1/8 of a sphere at each of the eight corners for a total of one sphere. The bcc also contains h a sphere at center for a total of two spheres. The nearest neighbor distance is 1/2(a 3 ). Therefore the radius of each sphere is 1/4 (a 3 ). Maximum fraction of cell filled= (1 + 1) {4[(a 3 ) / 4 ]3 / 3} / a3 =
3

3 =0.68=68 %. 8

(c) For a face-centered cubic, a unit cell contains 1/8 of a sphere at each of the eight corners for a total of one sphere. The fcc also contains half a sphere at each of the six faces for a total of three spheres. The nearest neighbor distance is 1/2(a 2 ). Therefore the radius of each sphere is 1/4 (a 2 ).

Maximum fraction of cell filled= (1 + 3) {4[(a/2) / 4 ]3 / 3} / a3 = 74 % d) For a hexagonal, a unit cell contains a total of two spheres. The nearest neighbor distance is 1/2(a 2 ). Therefore the radius of each sphere is 1/4 (a 2 ). Maximum fraction of cell filled= (2) {4[(a/ 3 ) / 4 ]3 / 3} / a3 =0.74= 74 %.

(e) For a diamond lattice, a unit cell contains 1/8 of a sphere at each of the eight corners for a total of one sphere, 1/2 of a sphere at each of the six faces for a total of three spheres, and 4 spheres inside the cell
1 d= 2

a a a + + 2 2 2

a 3 4

The radius of the sphere is D/2 = a 3 8 Maximum fraction of cell filled

4 = (1 + 3 + 4) 3

3 a 3 3 a 3 16 = 0.34 34% = 8

This is a relatively low percentage compared to other lattice structures.

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