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Thermal properties of Si and Ge under pressure
Author(s) -
Kagaya H.Matsuo,
Soma T.
Publication year - 1994
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.2221830110
Subject(s) - anharmonicity , thermal expansion , thermal , materials science , volume (thermodynamics) , thermodynamics , specific heat , pressure coefficient , lattice (music) , condensed matter physics , physics , acoustics
Thermal properties of Si and Ge under pressure are studied theoretically from first principles using the lattice dynamical method developed recently. The volume dependence of the anharmonic coefficient for the specific heat A, defined by C V ah /3 Nk = 1 + AT , is calculated. Then, numerical calculations of the anharmonic contributions to the thermal expansion coefficient are performed for Si and Ge.