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- W978746517 abstract "We calculate the eigenfrequencies of bulk semiconductors using tight-binding total energy calculations of an ideal and a distorted lattice. We correlate the obtained energy change with the harmonic force constants appearing as parameters in the expansion of the potential energy of the crys. tal lattice in terms of the displacement. A good agreement of the calculated q = 0 optical vibrational modes with the experimental values for Si, Ge, GaAs and GaP bulk crystals is obtained. The influence of a surface on the force constants and the vibrational frequencies is studied. PACS numbers: 63.20.—e" @default.
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- W978746517 date "1996-11-01" @default.
- W978746517 modified "2023-10-16" @default.
- W978746517 title "Determination of Vibrational Eigenfrequencies of Semiconductors Using Tight-Binding Total Energy Calculations" @default.
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- W978746517 doi "https://doi.org/10.12693/aphyspola.90.1075" @default.
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