An approximate scheme to determine the vibratory density of states in a quasi-harmonic solid |
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Authors: | M.A. Grado-Caffaro M. Grado-Caffaro |
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Affiliation: | Scientific Consultants, C/Julio Palacios 11, 9-B, 28029-Madrid, Spain |
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Abstract: | In a new and realistic conception of solids, an analytical approach is presented to find the phonon density of states in a quasi-harmonic one-dimensional solid by starting from the fact that a solid with strong interatomic forces can be regarded as an atomic array of quantum anharmonic oscillators under a Morse potential. In fact, our quasi-harmonic approximation is derived by assuming a large enough solid with an involved anharmonic parameter as a sufficiently small quantity. In this context, a mathematical relationship between the above parameter and the matrix element relative to oscillator’s strength is obtained. |
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Keywords: | Phonon density of states Quasi-harmonic solid Anharmonic oscillator Morse potential |
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