First-principles study of the quaternary semiconductor superlattices (Ga{ital X}){sub 1}/({ital Y}As){sub 1} ({ital X}=N, P; {ital Y}=Al, In)
- Department of Physics, University of Nevada, Las Vegas, Nevada 89154 (United States)
- Institute of Physics, Chinese Academy of Sciences, Beijing 100080, People`s Republic of (China)
- Texas Center for Superconductivity and Department of Physics, University of Houston, Houston, Texas 77204 (United States)
- Department of Physics, University of Texas, Austin, Texas 78712 (United States)
We have performed first-principles relativistic pseudopotential calculations to study the structural and electronic properties of quaternary semiconductor superlattices composed of GaAlAsN, InGaAsP, and GaAlAsP. Due to the complexity and low symmetry of the quaternary superstructure, the total energy as well as the force and stress in the system are calculated to determine the equilibrium structural parameters. The band structures of these quaternary superlattices have been calculated and the energy band gaps have been obtained. A relativistic Hartree-Fock local density approximation pseudopotential calculation also has been performed to reinforce the result of the energy band gap for the GaAlAsN system that is predicted to be gapless. A systematic comparison of the calculated electronic structure of the quaternary superlattices with the related binary compounds is presented. It is found that the virtual-crystal approximation fails to provide a proper description for these systems and the effects of chemical bonding and ionicity of the anion atoms are very important in determining the structural and electronic properties of the quaternary compounds. {copyright} {ital 1996 The American Physical Society.}
- OSTI ID:
- 397573
- Journal Information:
- Physical Review, B: Condensed Matter, Vol. 54, Issue 19; Other Information: PBD: Nov 1996
- Country of Publication:
- United States
- Language:
- English
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