Calculation of thermodynamic properties of Cu and Ag using a self-consistent statistical method

Autor:	A. I. Karasevskii, V. V. Lubashenko
Rok vydání:	2004
Předmět:	Equation of state Bulk modulus Lattice constant Specific heat Chemistry Constant pressure Thermal Thermodynamics Self consistent Condensed Matter Physics Pair potential Electronic Optical and Magnetic Materials
Zdroj:	physica status solidi (b). 241:1274-1280
ISSN:	1521-3951 0370-1972
Popis:	The thermal properties of the simple fcc metals Cu and Ag are investigated within a self-consistent statistical approach. The method is based on a variation procedure calculating a parameter of the quasi-elastic bond of neighboring atoms. The effective interionic interaction is approximated by the Morse pair potential fitting the experimental values for the lattice constant and the bulk modulus. The electronic contribution to the free energy is estimated within the free-electron approximation. For both Cu and Ag we compute the temperature dependence of the interatomic distance, the specific heat at constant pressure, and the bulk modulus, and the equation of state at 293 K. Good agreement with experimental data is observed. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::27658b0208c8633cbe69faee01cb8f8d https://doi.org/10.1002/pssb.200302001 Zobrazit plný text záznamu Plný text