Systematics of Bonding Properties and Vibrational Entropy in Compounds

  • G. Grimvall
  • A. Fernández Guillermet
Part of the Advances in Physical Geochemistry book series (PHYSICAL GEOCHE, volume 10)


The phase stability of a compound is determined by its Gibbs energy, G(T, P) = HTS. The enthalpy (or enthalpy of formation) is often known from direct measurements or from estimates. The entropy S has been much less studied, and that will be the main theme of this paper. For details, the reader is referred to our recent work, which has dealt with, e.g., 3d-transition metal carbides, nitrides, and oxides (Fernández Guillermet and Grimvall, 1989a, 1990, 1992); transition metal diborides (Fernández Guillermet and Grimvall, 1990b); and alkali halides and hydrides (Grimvall and Rosén, 1983; Haglund and Grimvall, 1990), as well as pure transition metals (Fernández Guillermet and Grimvall, 1989b, c; Grimvall et al., 1987). Here we shall add some material on geologically interesting solids.


Debye Temperature Alkali Halide Aluminum Silicate Interatomic Force Transition Metal Compound 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer-Verlag New York Inc. 1992

Authors and Affiliations

  • G. Grimvall
    • 1
  • A. Fernández Guillermet
    • 2
  1. 1.Department of Theoretical PhysicsThe Royal Institute of TechnologyStockholmSweden
  2. 2.Censejo Nacional de Investigaciones Cientificas y TecnicasCentro Atomico BarilocheRio NegroArgentina

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