Ab initio molecular-dynamics simulation
β
X.F. Zhu; L.F. Chen
π
Article
π
2008
π
Elsevier Science
π
English
β 462 KB
Ab initio molecular-dynamics simulations have been used to investigate the structure and dynamics properties of the liquid As x Se 1Γx at four compositions x ΒΌ 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