Calculation of InAs/AlSb(001) band offsets: Effect of strain and interfacial atomic structure

作者：Robert G. Dandrea, C. B. Duke · 发表于：Applied Physics Letters · 年份：1993 · DOI：10.1063/1.110665 · 被引用次数：21 · 研究领域：Semiconductor Quantum Structures and Devices、Advanced Semiconductor Detectors and Materials、Electronic and Structural Properties of Oxides

The band offsets of strained InAs grown on an AlSb(001) substrate are calculated for both the In-Sb and Al-As interfaces. A valence band offset of 0.19 eV (AlSb valence max higher) is calculated within first-principles local density functional theory, independent of the type of interfacial bonding. Short-period superlattices with identical InAs and AlSb lengths but differing only in the type of interfacial bond exhibit, however, quantum-confined states that can differ by 0.25 eV, and this is explained in terms of the superlattice wave functions. The 0.13 eV strain-induced decrease in the InAs gap leads to an extremely small energy difference of 0.04–0.10 eV between the InAs conduction minimum and the AlSb valence maximum, and presents a possible explanation for the increase in the InAs quantum well charge seen with increasing temperature.