A mixed bonding band structure calculation for GaAs and AlAs using the APW-k · p method |
| |
| Authors: | A.Ferreira da Silva I.C. da Cunha Lima N.J. Parada |
| |
| Affiliation: | Instituto de Pesquisas Espaciais, INPE, Conselho National de Desenvolvimento Cientifico e Tecnológico, CNPq, São José dos Campos, São Paulo, Brasil |
| |
| Abstract: | The Augmented Plane Wave (APW) method and the k.p expansion are used to obtain the band structure of GaAs in a mixed covalent and ionic bonding. The energy levels at the Γ point are also obtained for AlAs. The ionicity is introduced as a parameter into the crystalline potential. We explore the dependence of the energy levels and the momentum matrix elements on the values of the ionicity. The value of the ionicity which gave the direct gap Eg = 1.52eV for GaAs (the accepted experimental value) was found to be 0.1, and for AlAs Eg = 2.50 eV was obtained for an ionicity of 0.2. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
