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• W2031710908 startingPage "1808" @default.
• W2031710908 abstract "A self-consistent study of structural and electronic properties of semi-infinite Ge(001) terminated by a monolayer of sulfur is reported. Employing local-density theory together with Green's functions, we find from total-energy minimization that S adsorbs in bridge positions. The electronic spectrum saliently exhibits a dangling-bond and a bridge-bond band, which originate from the four lone-pair electrons at each sulfur adatom. They are both fully occupied. The calculated dangling-bond band is in very good agreement with photoemission data. The bridge-bond band is predicted in this Letter." @default.
• W2031710908 created "2016-06-24" @default.
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• W2031710908 date "1990-04-09" @default.
• W2031710908 modified "2023-10-18" @default.
• W2031710908 title "First-principles theory of sulfur adsorption on semi-infinite Ge(001)" @default.
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• W2031710908 doi "https://doi.org/10.1103/physrevlett.64.1808" @default.
• W2031710908 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/10041494" @default.
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