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• W2086081285 abstract "Using first-principles calculations, we have studied the geometrical, electronic, and dynamic properties in detail for a single K, Cu, Ag, and Au atoms adsorbed on $text{Si}(111)text{ensuremath{-}}7ifmmodetimeselsetexttimesfi{}7$ surface. We have found that single noble metal Cu, Ag, and Au atoms favor the multicoordinate adsorption sites to saturate the maximum number of dangling bonds on $text{Si}(111)text{ensuremath{-}}(7ifmmodetimeselsetexttimesfi{}7)$ surface. For Cu, Ag, and Au atoms adsorbed on the stable or metastable adsorption sites, the bright spots in the simulated negative bias scanning tunnel microscopy (STM) images are found right on the nearby Si adatoms which are induced by a combination of the charge redistribution and the height increase in Si adatoms induced by the single metal-atom adsorption. The finite increase in charge density between Cu, Ag, and Au atoms and the nearby bonding Si atoms indicate the bond is covalent in nature. In comparison, an alkali metal K atom loses its $s$ electron to the Si surface, and the charge transfer results in the bright spot at the Si adatom in simulated negative bias STM image." @default.
• W2086081285 created "2016-06-24" @default.
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• W2086081285 date "2009-03-03" @default.
• W2086081285 modified "2023-09-30" @default.
• W2086081285 title "Comparative study of single Cu, Ag, Au, and K atoms adsorbed on<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mtext>Si</mml:mtext><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mn>111</mml:mn></mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mtext>−</mml:mtext><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mn>7</mml:mn><mml:mo>×</mml:mo><mml:mn>7</mml:mn></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>" @default.
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• W2086081285 doi "https://doi.org/10.1103/physrevb.79.115301" @default.
• W2086081285 hasPublicationYear "2009" @default.
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