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• W1994713749 abstract "We present ab initio studies of possible reconstruction elements on Si and $text{Ge}(110)$ surfaces. Using $2ifmmodetimeselsetexttimesfi{}2$, $3ifmmodetimeselsetexttimesfi{}2$, and $6ifmmodetimeselsetexttimesfi{}2$ unit cells we optimize models with buckled atomic chains, dimers, different adatom distributions, and interstitial atoms which may exist on the larger $text{Si}(110)16ifmmodetimeselsetexttimesfi{}2$ or $text{Ge}(110)16ifmmodetimeselsetexttimesfi{}2∕c(8ifmmodetimeselsetexttimesfi{}10)$ surface reconstructions. We show that adatom reconstructions gain energy. Only the adatom model which seemingly leaves no dangling bonds cannot occur on Si and $text{Ge}(110)$ surfaces. An adatom-rest atom electron transfer mechanism is more favorable. An adatom-tetramer-interstitial $3ifmmodetimeselsetexttimesfi{}2$ model also stabilizes the Si and Ge surfaces and leads to a semiconducting behavior (at least for Si). Simulated scanning tunneling microscopy (STM) images of empty states of this reconstruction look like the pentagon structures observed on $text{Si}(110)16ifmmodetimeselsetexttimesfi{}2$. A $6ifmmodetimeselsetexttimesfi{}2$ reconstruction with five-membered adclusters is energetically completely unfavorable, though it also reproduces the empty-state pentagonlike STM images." @default.
• W1994713749 created "2016-06-24" @default.
• W1994713749 creator A5021512784 @default.
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• W1994713749 date "2004-07-07" @default.
• W1994713749 modified "2023-10-14" @default.
• W1994713749 title "Structural elements on reconstructed Si and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mtext>Ge</mml:mtext><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mn>110</mml:mn></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>surfaces" @default.
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• W1994713749 doi "https://doi.org/10.1103/physrevb.70.045305" @default.
• W1994713749 hasPublicationYear "2004" @default.
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