A transferable nonorthogonal tight-binding scheme for germanium
نویسنده
چکیده
A minimal-parameter tight-binding theory incorporating explicit use of nonorthogonality of the basis is used to generate a transferable scheme for germanium. Good results are obtained for high-pressure bulk phases and vibrational frequencies. Diamond structure is found to be the ground state even when compared with the clathrate structure. The results for clusters show good agreement with ab initio predictions.
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تاریخ انتشار 1998