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| Phase Transition Characters and Thermodynamics Modeling of the Newly-Discovered wII- and Post-Spinel Si3N4 Polymorphs： A First-Principles Investigation | |
| 基金项目： | Acknowledgements This work was financially supported by the National Natural Science Foundation of China （Nos. 11005088 and 11105115）, the Project of Basic and Advanced Technology of Henan Province of China （No. 112300410021）, the Key Project of Henan Educational Committee （No. 12A140010） and the Young Teacher＇s Program of Xinyang Normal University （No. 2011084）. The authors are grateful to Prof. M.A. Blanco and his colleagues for their Gibbs code. |
| 摘 要： | |
| 关 键 词： | 尖晶石相 相变压力 第一原理 力学建模 氮化硅 体积弹性模量 压力范围 晶型 |
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