Ab initio molecular-dynamics simulation
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X.F. Zhu; L.F. Chen
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Article
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2008
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Elsevier Science
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English
⚖ 462 KB
Ab initio molecular-dynamics simulations have been used to investigate the structure and dynamics properties of the liquid As x Se 1Àx at four compositions x ¼ 0:2, 0.4, 0.5, and 0.6. We present results for the static structure factors, frequency spectra, and the electronic density of states. The re