2000/05/05 by D. Caprion, H. R. Schober · 2 citations
Materials Science · Physics and Astronomy · #Glass properties and applications #Material Dynamics and Properties #Spectroscopy and Quantum Chemical Studies #cond-mat.dis-nn
paper · pdf · doi:10.1103/physrevb.62.3709
arxiv created 2000/05/05 · openalex publication_date 2000/08/01 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
We report a molecular dynamics simulation of selenium, described by a three-body interaction. The temperatures Tg and Tc and the structural properties are in agreement with experiment. The mean nearest neighbor coordination number is 2.1. A small prepeak at about 1 \AA^\ensuremath-1 can be explained in terms of void correlations. In the intermediate self-scattering function, i.e., the density fluctuation correlation, classical behavior, \ensuremathα and \ensuremathβ regimes, is found. We also observe the plateau in the \ensuremathβ regime below Tg. In a second step, we investigated the heterogeneous and/or homogeneous behavior of the relaxations. At both short and long times the relaxations are homogeneous (or weakly heterogeneous). In the intermediate time scale, lowering the temperature increases the heterogeneity. We connect these different domains to the vibrational (ballistic), \ensuremathβ and \ensuremathα regimes. We have also shown that the increase in heterogeneity can be understood in terms of relaxations.