Phase Transition Characters and Thermodynamics Modeling of the Newly-Discovered wⅡ-and Post-Spinel Si3N4 Polymorphs:A First-Principles Investigation

金属学报(英文版), 2013, 26(2): 131-136. doi: 10.1007/s40195-012-0133-1

1.College of Physics and Electronic Engineering, Xinyang Normal University, Xinyang 464000, China

2.College of Physics and Electronic Engineering, Xinyang Normal University, Xinyang 464000, China

基金项目: the Key Project of Henan Educational Committee(12A140010) the Young Teacher's Program of Xinyang Normal University(2011084) This work was financially supported by the National Natural Science Foundation of China(.11005088 and 11105115) the Project of Basic and Advanced Technology of Henan Province of China(112300410021)

Phase Transition Characters and Thermodynamics Modeling of the Newly-Discovered wⅡ-and Post-Spinel Si3N4 Polymorphs:A First-Principles Investigation

Keywords： First-principles

参考文献

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[2]	M. A. Blanco;E. Francisco;V. Luana .GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model[J].Computer physics communications,2004(1):57-72.
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[4]	R. Terki;G. Bertrand;H. Aourag .Thermal properties of Ba_(1-x)Sr_xZrO_3 compounds from microscopic theory[J].Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics,2008(1/2):508-513.

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Phase Transition Characters and Thermodynamics Modeling of the Newly-Discovered wⅡ-and Post-Spinel Si3N4 Polymorphs:A First-Principles Investigation

参考文献