Pseudopotential calculations for the electronic structure of Cd1−xMnxTe

✍ Scribed by B Belgoumène; S Kouidri; M Driss Khodja

• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 132 KB
• Volume: 261
• Category: Article
• ISSN: 0375-9601
• DOI: 10.1016/s0375-9601(99)00521-6

✦ Synopsis

Electronic structure calculations of zinc-blende Cd Mn Te alloys have been performed by using the empirical 1yx x pseudopotential method. The initial form factors of the relating end-point compounds have been deduced from experimental and theoretical data available in the literature. As the Mn concentration varies, the overall shape of the valence band remains almost the same. This would indicate that the structural order plays the dominant role in the electronic structure of zinc-blende Cd Mn Te alloys. The density of states curves bring out two characteristic features in the valence band: a 1yx x core-like peak, at ; 10 eV below the valence band maximum, originating mainly from Te s states, and a two-peak structure at the top of the valence band formed from Te p states hybridized with Mn and Cd states. The band gap opens continuously from pure CdTe to Cd Mn Te. Moreover, our results suggest optical bowing may occur in cubic Cd Mn Te alloys.

0.30 0.70 1yx x