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Chemical trends of stability and band alignment of lattice-matched II-VI/III-V semiconductor interfaces
2015
Physical Review B
Using first-principles density functional theory (DFT) method, we systematically investigate the structural and electronic properties of heterovalent interfaces of the lattice-matched II-VI/III-V semiconductors, i.e. ZnTe/GaSb, ZnSe/GaAs, ZnS/GaP and ZnO/GaN. We find that independent of the orientations, the heterovalent superlattices with period n = 6 are energetically more favorable to form nonpolar interfaces. For the [001] interface, the stable nonpolar interfaces are formed by mixing 50%
doi:10.1103/physrevb.91.075315
fatcat:7vyabatmgvbczc5fmtfkpxmgf4