期刊
PHYSICAL REVIEW B
卷 61, 期 3, 页码 1898-1906出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.61.1898
关键词
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At low temperatures, dynamics in amorphous silicon occurs through a sequence of discrete activated events that locally reorganize the topological network. Using the activation-relaxation technique, a database containing over 8000 such events is generated, and the events are analyzed with respect to their energy barrier and asymmetry, displacement and volume expansion/contmction. Special attention is paid to those events corresponding to diffusing coordination defects. The energetics is not clearly correlated with the displacement, nor with the defect density in well-relaxed configurations. We find however some correlation with the local volume expansion: it tends to increase by about 4 eV/Angstrom(3). The topological properties of these events are also studied; they show an unexpectedly rich diversity.
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