By A. Baldereschi, R. Resta (auth.), J. T. Devreese, V. E. Van Doren, P. E. Van Camp (eds.)
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In the semiconductor systems it has been possible to go beyond these considerations and to calculate various energies for distortion of the lattice [7,14,19]. The recent success has been achieved by carrying out direct calculations treating the distorted structures as new crystals. It is feasible to calculate the energies accurately enough that small energy differences can be determined. In this way harmonic phonon energies [7,10,14] and anharmonic terms [7,11,12, 14] have been calculated. Again, the primary example is Si with the most important result being the low TA(X)[7,10,14] and TA(L)modes.
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