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Liquid boron: X-ray measurements and ab initio molecular dynamics simulations

✍ Scribed by Price, David; Alatas, Ahmet; Hennet, Louis; Jakse, Noël; Krishnan, Shankar; Pasturel, Alain; Pozdnyakova, Irina; Saboungi, Marie-Louise; Said, Ayman; Scheunemann, Richard


Book ID
115502192
Publisher
The American Physical Society
Year
2009
Tongue
English
Weight
359 KB
Volume
79
Category
Article
ISSN
1098-0121

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Ab initio molecular-dynamics simulation
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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