Abstract
We investigate the influence of anharmonic effects on the zero-point vacancy concentration in a boson system model in the solid phase at T=0 K. We apply the reversible-work method to compute the vacancy formation free energy and the vacancy concentration in the system. A comparison of our results with those obtained using the harmonic approximation show that anharmonic effects reduce the formation free energy by ∼25%, leading to an increase of the zero-point vacancy concentration by more than an order of magnitude.
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Pessoa, R., de Koning, M. & Vitiello, S.A. Zero-Point Vacancy Concentration in a Model Quantum Solid: A Reversible-Work Approach. J Stat Phys 134, 769–780 (2009). https://doi.org/10.1007/s10955-009-9702-8
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DOI: https://doi.org/10.1007/s10955-009-9702-8