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Structural and Electronic Properties of Liquid Ge–Sn Alloys: Ab Initio Molecular-Dynamics Simulations

✍ Scribed by Goto, Ryuichi; Shimojo, Fuyuki; Munejiri, Shuji; Hoshino, Kozo

Book ID
120195982
Publisher
Institute of Pure and Applied Physics
Year
2004
Tongue
English
Weight
450 KB
Volume
73
Category
Article
ISSN
0031-9015

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Ab initio molecular-dynamics simulation
Ab initio molecular-dynamics simulation of liquid alloys
✍ X.F. Zhu; L.F. Chen 📂 Article 📅 2008 🏛 Elsevier Science 🌐 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