Molecular dynamics germanium semiconductors

There has been recent widespread interest in simulating semiconductors. This has been especially true for silicon, and to a lesser extent for germanium. Prior to 1984, no general potential energy expressions were available which could be used to model the chemical dynamics of semiconductors. Between 1984 and 1986, at least five different expressions were introduced which can successfully model condensed phases of silicon . These potential energy schemes, which were discussed in section 1.2, have made possible the use of molecular dynamics to study atomic-scale motion on semiconductor surfaces. 

Kresse, G. and Hafner, J., Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium, Phys. Rev. B, 49, 14251, 1994. 

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