Prediction of Pressure-Induced Structural Transition and Mechanical Properties of MgY from First-Principles Calculations

Author： Pu Chun-Ying   Xun Xian-Chao   Song Hai-Zhen   Zhang Fei-Wu   Lu Zhi-Wen   Zhou Da-Wei  

Publisher： IOP Publishing

E-ISSN： 1572-9494|65|1|92-98

ISSN： 0253-6102

Source： Communications in Theoretical Physics, Vol.65, Iss.1, 2016-01, pp. : 92-98

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Pressure-induced vibrational and superconducting properties of lanthanum hydrides from first principles calculations

By  

Canadian Journal of Physics, Vol. 93, Iss. 12, 2015-01 ,pp. : 1630-1637

NRC Research Press

Access to resources Recommend Favorite

Mechanical and thermodynamic properties of cubic YH2 under high pressure: Prediction from first-principles study

By Zhen-Li Li   Xin-Lu Cheng  

Chinese Physics B, Vol. 23, Iss. 4, 2014-04 ,pp. : 46201-46208

IOP Publishing

Access to resources Recommend Favorite

Mechanical, electronic, and thermodynamic properties of zirconium carbide from first-principles calculations

By  

Chinese Physics B, Vol. 24, Iss. 11, 2015-11 ,pp. : 116301-116306

IOP Publishing

Access to resources Recommend Favorite

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

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

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

IOP Publishing

Access to resources Recommend Favorite

First-principles calculations for the structural, elastic and thermodynamic properties of cubic perovskite BaHfO3 under pressure

By Gu Fang   Chen Yun-Yun   Zhang Xian-Ling   Zhang Jia-Hong   Liu Qing-Quan  

Physica Scripta, Vol. 89, Iss. 10, 2014-10 ,pp. : 105703-105714

IOP Publishing

Access to resources Recommend Favorite