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• W1574354485 abstract "Publisher Summary This chapter focuses on the structural models of tetrahedrally bonded amorphous materials. Amorphous silicon is a particularly interesting and important amorphous material. It is the most promising material for a wide range of applications of solar energy conversion. A fundamental understanding of the properties of these amorphous materials, whether electrical, optical, or mechanical, requires a detailed knowledge of their microscopic structure. With the advent of realistic models of their structure, much effort has gone into calculations to elucidate these properties. Starting with the structure for the perfect crystal, bond switches are made according to the usual Monte Carlo prescription. The initial strain energy for the structure is zero. When a single pair of bond switches is introduced into the otherwise perfect crystal, the strain energy given by the Keating potential is 4.5 eV. Because the perfect crystal is the minimum energy, no trial bond switches will be accepted on a permanent basis except at a finite temperature. The appropriate temperature can be determined by systematic trial. After each bond-pair switch, the structure is relaxed to the geometrical configuration of minimum energy. The number of shells over which to relax depends upon the expected range of energy differences between configurations. During the initial randomization and the beginning stages of annealing, these differences are usually sufficiently large that energy differences can be calculated by using local relaxation over a single shell." @default.
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• W1574354485 date "1995-01-01" @default.
• W1574354485 modified "2023-09-27" @default.
• W1574354485 title "Chapter 15 Structural models of tetrahedrally bonded amorphous materials" @default.
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• W1574354485 doi "https://doi.org/10.1016/s0922-3487(06)80016-x" @default.
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