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First-Principles Mode Gruneisen Parameters and Negative Thermal Expansion in

✍ Scribed by Gava, V.; Martinotto, A. L.; Perottoni, C. A.

Book ID: 117993015
Publisher: The American Physical Society
Year: 2012
Tongue: English
Weight: 191 KB
Volume: 109
Category: Article
ISSN: 0031-9007
DOI: 10.1103/physrevlett.109.195503

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## Abstract The thermal expansion of Rb and Cs is investigated using Toya's first‐principle approach with modified __g__‐function. The mode Grüneisen parameters γ~qj~ and the temperature dependence of both, the mean Grüneisen parameter γ~__T__~ and the thermal expansion coefficient β~__T__~ are cal