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- W2040763478 abstract "We elucidate the structural properties of amorphous ${mathrm{S}mathrm{i}mathrm{S}mathrm{e}}_{2}$ by first-principles molecular dynamics. The calculated structure factor is in very good agreement with experiments, as well as the number of corner- and edge-sharing tetrahedra. By focusing on the sequences of Si atoms linked via intra- and intertetrahedral bonds, we identify the predominant structural motifs. The sequences involving both corner- and edge-sharing connections are significantly more frequent than those formed exclusively by edge-shared Si atoms. Our results clarify a longstanding controversy on the structure of this prototypical disordered network-forming material." @default.
- W2040763478 created "2016-06-24" @default.
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- W2040763478 date "2003-03-26" @default.
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- W2040763478 title "Origin of Network Connectivity and Structural Units in Amorphous<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow><mml:mi mathvariant=normal>S</mml:mi><mml:mi mathvariant=normal>i</mml:mi><mml:mi mathvariant=normal>S</mml:mi><mml:mi mathvariant=normal>e</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>" @default.
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- W2040763478 doi "https://doi.org/10.1103/physrevlett.90.125502" @default.
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