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Thermal Properties and Grüneisen Parameters of Alkali Metals Employing the Model Potential of Krasko and Gurskii
Author(s) -
Prasad B.,
Srivastava R. S.
Publication year - 1978
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220870244
Subject(s) - alkali metal , brillouin zone , materials science , grüneisen parameter , thermodynamics , potassium , phonon , thermal expansion , sodium , condensed matter physics , chemistry , physics , metallurgy , organic chemistry
A new form of the local model potential proposed by Krasko and Gurskii is used for computation of phonon frequencies, specific heat, and Grüneisen parameters for the two alkali metals, potassium and sodium. The Brillouin zone is divided into 1000 miniature cells. Corresponding to the centre of each miniature cell, phonon frequencies and Grüneisen parameters are computed and used for studying the variation of the mean value of the Grüneisen parameter with temperature. Variation of the thermal expansion coefficient with temperature is also studied in the manner of Wallace. The computed results are discussed in the light of available experimental and theoretical results. There is over all qualitative agreement between theory and experiment.