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C. Fan, D. D. Do, D. Nicholson and E. Ustinov, Chemical potential, Helmholtz free energy and entropy of argon with kinetic Monte Carlo simulation, Molecular Physics (2013).

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Article

Anharmonicity and Disorder Effect on the Free Energy of Crystalline Solids

1Physics Department, Techwords W.G.V.S. Group of Institution, Manglour, Roorkee, Uttarkahand, India

2Physics Department, Indian Institute of Technology, Roorkee, Uttarkahand, India


International Journal of Physics. 2014, Vol. 2 No. 1, 1-7
DOI: 10.12691/ijp-2-1-1
Copyright © 2014 Science and Education Publishing

Cite this paper:
M. Ataullah Ansari, B.D. Indu. Anharmonicity and Disorder Effect on the Free Energy of Crystalline Solids. International Journal of Physics. 2014; 2(1):1-7. doi: 10.12691/ijp-2-1-1.

Correspondence to: B.D.  Indu, Physics Department, Indian Institute of Technology, Roorkee, Uttarkahand, India. Email: drbdindu@gmail.com

Abstract

Dealing with the anharmonic phonon-electron problem with the help of double time temperature dependent Green’s Function theory of quantum dynamics the general and explicit expressions for the lattice energy, partition function, free energy have been derived for an impurity induced anharmonic crystalline solid. The effects of mass and force constant change terms between the impurity and host lattice atoms are taken into account, and the cubic and quartic anharmonic terms are also retained in an almost complete Hamiltonian to develop the many body theory. The general trend of low and high temperature contributions to Helmholtz free energy is obtained via three dimensional graphics.

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