Non-equilibrium molecular-dynamics for i
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S.K. Estreicher; T.M. Gibbons
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Article
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2009
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Elsevier Science
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English
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Calculating from first principles the vibrational properties of impurities in semiconductors such as Si has kept theorists busy for more than a decade. The early focus has been on predicting IR-or Ramanactive local vibrational modes, thus contributing to the identification of defects containing ligh