The structural phase transition and phase stability of TiO2 (P42/nmc) under high pressure from first-principles calculations

Author： Dong Hai-Kuan   Li Ming-Biao   Qi Guo-Quan   Xiu Xiao-Ming   Shi Li-Bin  

Publisher： IOP Publishing

E-ISSN： 1402-4896|91|1|15701-15710

ISSN： 1402-4896

Source： Physica Scripta, Vol.91, Iss.1, 2016-01, pp. : 15701-15710

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