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• W2064620406 endingPage "10998" @default.
• W2064620406 startingPage "10991" @default.
• W2064620406 abstract "The embedded-cluster linear-combination-of-atomic-orbitals--self-consistent-field method, within the local-density framework, is used to study the substitutional impurities Li, Be, B, C, N, and O in InP. The pure semiconductor gap is found to be 0.8 eV, in fair agreement with experiments. Impurities (Im) are substituted at either In or P sites in succession forming (Im)${mathrm{P}}_{4}$${mathrm{In}}_{12}$ and (Im)${mathrm{In}}_{4}$${mathrm{P}}_{12}$ variational clusters. Li, Be, and O are found to be acceptors whereas B and C are donors. N is ambivalent: a donor at the In site, and an acceptor at the P site. Binding-energy calculations indicate that Li, Be, and B prefer to occupy the In site while C, N, and O settle at P sites. Our calculated results are compared with experiments and other calculations wherever available." @default.
• W2064620406 created "2016-06-24" @default.
• W2064620406 creator A5006948412 @default.
• W2064620406 date "1994-04-15" @default.
• W2064620406 modified "2023-09-23" @default.
• W2064620406 title "Theoretical study of substitutional defects in III-V semiconductors: InP" @default.
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• W2064620406 doi "https://doi.org/10.1103/physrevb.49.10991" @default.
• W2064620406 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/10009942" @default.
• W2064620406 hasPublicationYear "1994" @default.
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