Cation dependence of the electronic structure of AlAs and GaAs

✍ Scribed by Jennifer L. Corkill; A. Rubio; Marvin L. Cohen

• Book ID: 103954770
• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 570 KB
• Volume: 25
• Category: Article
• ISSN: 0921-5107
• DOI: 10.1016/0921-5107(94)90205-4

✦ Synopsis

Effects of the cation potential on the electronic structure of AlAs and GaAs are studied using the ab initio pseudopotential method. Differences between the band gaps and one-electron levels of AlAs and GaAs are explained in terms of the s, p and d angular components of the AI and Ga potentials. Substituting the s-and d-channels of Ga for the corresponding channels in the AI potential reduces the AlAs direct gap by 0.7 and 0.5 eV, respectively. A reduction in the ionicity of GaAs compared to AlAs is mostly due to the stronger Ga-s potential. Comparisons are made to a previous analysis of cation effects in the III-V nitrides.