Effect of strain on atomic ordering and action of surfactants in ternary alloy thin films
作者： Aparna Chakrabarti , Karel Kunc
DOI: 10.1103/PHYSREVB.70.085313
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摘要: Effect of surfactant (Sb) on ordering in alloy thin films (In,Ga)P and (In,Ga)As , lattice mismatched with the substrate, is studied using ab initio total energy calculations based density functional theory. Anion-terminated GaAs [001] substrate GaP are assumed ordered CuPt-B geometry, β2(2×4) -reconstructed surface. The results compared previous same layers but matched substrate. Consequences strain (due to mismatch) these films, bare covered surfactant, discussed relation surface interface geometries terms formation interchange energies.
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