10. Appendix
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
Partial solution to Problem 2.8 589<br />
The characters of these 6 wave functions under the operation S4 are, therefore,<br />
¯(æ1) 0 ¯(æ2); ¯(æ3) 1; ¯(æ4) 1; ¯(æ5) 1; and ¯(æ6) 1.<br />
We note that the characters of æ1 and æ2 are consistent with those of the<br />
irreducible representation X5 we obtained for these two wave functions based<br />
on the operation C2 4 (y′ ). The additional characters now allow us to determine<br />
uniquely the irreducible representation of æ3 and æ6 as X3 and those of æ4<br />
and æ5 as X1. The reader should try to determine the characters for the remaining<br />
symmetries of the group of X so as to complete the character table<br />
for these 6 wave functions.<br />
(b) To calculate the matrix elements of the above six wave functions we shall<br />
first derive the following results. First we notice that with the conventions in<br />
Section 2.5 the pseudopotential form factor Vg is defined for GaAs by (2.33)<br />
as:<br />
Vg V s g cos(g · s) iVa g sin(g · s)<br />
where s (a/8)(1, 1, 1) and g is a reciprocal lattice vector. If g <br />
(2apple/a)(g1, g2, g3) then g · s (apple/4)(g1 g2 g3). Limiting ourselves to: g <br />
(2apple/a)(2, 0, 0); (2apple/a)(2, 2, 0); (2apple/a)(1, 1, 1) we obtain<br />
V (220) V a (220) cos apple Vs (220) sin apple Vs (220) vs g V (220) vs g (2.8.9a)<br />
V (220) V (220) V (220) ... V (022) v s g<br />
(2.8.9b)<br />
V (200) iV a (200) iva4 and its cyclic permutations (2.8.9c)<br />
V (200) iv a 4 V (200)<br />
V (111) 1 √ 2<br />
(2.8.9d)<br />
s<br />
1<br />
v iVa √2 (v (111) (111)<br />
s 3 iva3 ) (2.8.9e)<br />
V (111) 1 √ (v<br />
2 s 3 iva3 ) (2.8.9f)<br />
V (111) 1 √ (V<br />
2 s 3 iva3 ) (2.8.9g)<br />
v (111) 1 √ (v<br />
2 s 3 iva3 ) (2.8.9h)<br />
We shall now demonstrate the calculation of a few selected matrix elements<br />
of the pseudopotential V : 〈æi|V|æj〉 where i and j 1, ..., 6. In principle there<br />
are 36 matrix elements. The number of inependent elements is roughly halved<br />
by noting that 〈æi|V|æj〉 〈æj|V|æi〉 ∗ .<br />
〈æ1|V|æ1〉 1<br />
〈011 011|V|011 011〉<br />
1<br />
2<br />
2<br />
<br />
〈011|V|011〉 〈011|V|011〉 〈011|V|011〉 〈011|V|011〉<br />
(2.8.10)