10. Appendix

692 Appendix D
density functionals, as well as direct solutions of the Bethe-Salpeter equation
which take into account the Coulomb (excitonic) interaction between an excited
electron and the hole left behind (see Fig. 6.55). Unfortunately, most
of these calculations are quite computation intensive and require the use of
super-computers. Even then, most of these calculations do not include the effect
of electron-phonon interaction, which can be non-negligible in many cases
even at zero temperature (because of the zero-point vibrations, see Fig. 6.44).
We give below a list of articles and books related to the theory and practice of
ab initio electronic band structure calculations including their recent updates.
The acronyms of some of the codes used are given in red.
P. Hohenberg and W. Kohn: Inhomogeneous electron gas. Phys. Rev. 136,
B864–B871 (1964).
W. Kohn and L. J. Sham: Self-consistent equations including exchange and correlation
effects. Phy. Rev. 140, A1133–A1138 (1965). (Walter Kohn shared
the 1998 Nobel Prize in Chemistry for his development of the densityfunctional
theory.)
M. S. Hybertson and S. G. Louie: Electron correlation in semiconductors and
insulators: band gaps and quasiparticle energies. Phy. Rev. B34, 5390–5413
(1986).
A. Rubio, J. L. Corkill, M. L. Cohen, E. L. Shirley, and S. G. Louie: Quasiparticle
Band Structure of AlN and GaN. Phys. Rev. B48, 11810–11816 (1993).
B. Wenzien, P. Kackell, F. Bechstedt, G. Capellini: Quasiparticle Band Structure
of Silicon Carbide Polytypes. Phys. Rev. B52, 10897–10905 (1995).
D. Vogl, P. Krüger, J. Pollmann: Self-Interaction and Relaxation-Corrected
Pseudopotentials for II-VI Semiconductors. Phys. Rev. B54, 5495–5511
(1996).
F. Bechstedt, P. Kackell, A. Zywietz, K. Karch, B. Adolph, K. Tenelsen, J.
Furthmüller: Polytypism and Properties of Silicon Carbide. Phys. Stat. Solidi
B 202, 35–62 (1997) (VASP).
S. Albrecht, L. Reining, R. del Sole and G. Onida: Ab Initio Calculations of
Excitonic Effects in the Optical Spectra of Semiconductors. Phys. Rev. Lett.
80, 4510–4513 (1998).
C. Stampfl and C. G. Van de Walle: Density-Functional Calculation of III–V
Nitrides Using Local-Density Approximation and the Generalized Gradient
Approximation. Phys. Rev. B59, 5521–5535 ( 1999).
D. Sánchez-Portal, E. Artacho, J. M. Soler, A. Rubio, P. Ordejón: Ab Initio
Structural, Elastic and Vibrational Properties of Carbon Nanotubes. Phys.
Rev. B59, 12678–12688 (1999).
K. Labniczak-Jablonska, T. Suski, I. Gorczyca, N. E. Christensen, K. E. Attenkofer,
R. C. C. Perera, E. M. Gullikson, J. H. Underwood, D. L. Ederer,
and Z. Liliental Weber: Electronic States in Valence and Conduction Bands
of Group III Nitrides: Experiment and Theory. Phys. Rev. B61, 16623–16632
(2000).
L. E. Ramos, L. K. Teles, L. M. R. Scolfaro, J. L. P. Castineira, A. L. Rosa,
J. R. Leite: Structural, Electronic, and Effective-Mass Properties of Silicon