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Correlation and prediction of parameters related to vibrational properties of compounds

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Abstract

The vibrational contribution to the Gibbs energyG of solids is often expressed in a simple algebraic form in terms of the absolute temperature. This paper discusses how parameters entering such an expression forG are expected on theoretical grounds to show certain regularities and, hence, may be estimated for a certain compound if they are known for chemically related compounds. The regularities of the parameters are exemplified by the sp3-bonded solids Si, Ge,x-Sn, and III–V semiconducting compounds.

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Authors and Affiliations

  1. Department of Physics, Royal Institute of Technology, S-10044, Stockholm, Sweden

    G. Grimvall

  2. Consejo Nacional de Invest igaciones Científicas y Técnicas, Centro Atómico Bariloche, 8400, San Carlos de Bariloche, Argentina

    A. Fernández-Guillermet

Authors
  1. G. Grimvall
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  2. A. Fernández-Guillermet
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Grimvall, G., Fernández-Guillermet, A. Correlation and prediction of parameters related to vibrational properties of compounds. Int J Thermophys 15, 1353–1360 (1994). https://doi.org/10.1007/BF01458843

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