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The liquid–liquid phase transition of liquid phosphorus studied by ab initio molecular-dynamics simulations

✍ Scribed by Y. Senda; F. Shimojo; K. Hoshino


Book ID
117146153
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
181 KB
Volume
312-314
Category
Article
ISSN
0022-3093

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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