Comments on pseudopotential calculations of the properties of the germanium polytypes
作者： F Aymerich , P V Smith
DOI: 10.1088/0022-3719/6/2/017
关键词: Plane wave 、 Interpolation 、 Wurtzite crystal structure 、 Form factor (quantum field theory) 、 Physics 、 Empirical data 、 Pseudopotential 、 Germanium 、 Electronic band structure 、 Quantum mechanics 、 Condensed matter physics
摘要: The application of the empirical pseudopotential method to study electronic and optical properties germanium polytypes is investigated. It found that there sufficient arbitrariness inherent in interpolation available data for form factor allow significant uncertainties predicted band structure. An independent augmented plane wave calculation structure appropriate hypothetical wurtzite suggests a new factor.
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