P Boguslawski and I Gorczyca 1994 Semicond. Sci. Technol. 9 2169 doi:10.1088/0268-1242/9/12/002
P Boguslawski and I Gorczyca
Show affiliationsWe link the electronic structures of AlAs and GaAs with the energy structures of the constituent atomic species. The electronic structures are calculated using first-principles pseudopotentials. The wavefunctions of valence and conduction bands are projected on s, p and d symmetry orbitals. The resulting information on the orbital composition of crystalline states is combined with eigenenergies of Al and Ga atoms in order to explain differences between band energies of the two semiconductors. For GaAs, the dependence of the orbital composition of wavefunctions on the wavevector is analysed in detail, and correlated with the dispersion of energy bands. The contribution of excited d orbitals to the lowest conduction states at X and L points is as high as about 50 per cent, and is responsible for the decrease of the indirect Gamma -X optical bandgap with hydrostatic pressure. The validity of the sp3 minimal-basis-set tight-binding model is evaluated.
Issue 12 (December 1994)
P Boguslawski and I Gorczyca 1994 Semicond. Sci. Technol. 9 2169
Richard P Feynman et al 2003 Eur. J. Phys. 24 330
Cheng-Lin Bai and Hong Zhao 2006 Phys. Scr. 73 429
R Chang and P W Graves 1965 Br. J. Appl. Phys. 16 715
John C. Collins and Xiaomin Zu JHEP06(2002)018
Paul Lasky 2009 J. Phys.: Conf. Ser. 189 012023
John C Roeske and Mark Hoggarth 2007 Phys. Med. Biol. 52 1909
John D Savee et al 2009 J. Phys.: Conf. Ser. 192 012007
C Michotte et al 2006 Metrologia 43 06007
Loren Limberis and Russell J Stewart 2000 Nanotechnology 11 47