CORRELATION AND PREDICTION OF PARAMETERS RELATED TO VIBRATIONAL PROPERTIES OF COMPOUNDS

The vibrational contribution to the Gibbs energy G of solids is often expressed in a simple algebraic form in terms of the absolute temperat ure. This paper discusses how parameters entering such an expression f or G 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 a re exemplified by the sp(3)-bonded solids Si, Ge, alpha-Sn, and III-V semiconducting compounds.