期刊
JOURNAL OF STATISTICAL PHYSICS
卷 134, 期 4, 页码 769-780出版社
SPRINGER
DOI: 10.1007/s10955-009-9702-8
关键词
Quantum solids; Vacancy concentration; Anharmonic effects; Reversible work method
资金
- FAPESP
- CNPq
- CAPES
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 similar to 25%, leading to an increase of the zero-point vacancy concentration by more than an order of magnitude.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据