STRAIN AND DIPOLE EFFECTS IN COVALENT-POLAR SEMICONDUCTOR SUPERLATTICES

Article

关键词: SELF-CONSISTENT CALCULATION;    GAAS-ALAS SUPERLATTICES;    MOLECULAR-BEAM EPITAXY;    BAND OFFSETS;    ELECTRONIC-STRUCTURE;    PHASE-TRANSITION;    ATOMIC-STRUCTURE;    CONFINED STATES;    QUANTUM-WELLS;    INTERFACES;   

DOI  :  10.1103/PhysRevB.44.5550

来源: SCIE

【 摘 要 】

The energetics and electronic structure of lattice-matched (Ge)4/(GaAs)2 and strained, pseudomorphic (Si)4/(GaAs)2 (001) semiconductor superlattices have been studied with use of a self-consistent-field pseudopotential method. The interfaces are assumed to be uniform, but the interlayer distances of the pseudomorphic lattice are optimized to achieve a minimum-total-energy configuration. The calculated enthalpy of formation is in the 100-meV/atom range for these two superlattices, which is almost an order of magnitude larger than the strain component in (Si)4/(GaAs)2. The superlattice dipole induces a metal-insulator transition by periodically tilting the potential. The electrostatic energy derived from this dipole field is the main cause of the instability relative to disproportionation.

【 授权许可】

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