Calculation of the vibrational spectra of copper crystals with vacancies |
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Authors: | A. N. Kislov V. G. Mazurenko K. N. Korzov |
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Affiliation: | (1) Ural State Technical University, ul. Mira 19, Yekaterinburg, 620002, Russia |
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Abstract: | The local vibrational spectra of copper crystals containing vacancies are calculated using the pair atomic potential derived in the framework of the resonance pseudopotential theory. The calculations are performed by a recursive method with due regard for the symmetry of the defect region. The frequencies of the vacancy-induced resonance vibrations of different symmetries are determined. |
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