Phase transitions and mechanical stability of TiO2 polymorphs under high pressure

Journal of Alloys and Compounds

Volumn 631, Issue , 2015, Pages 192-201

  Liu, Qi Jun ^a   Ran, Zheng ^b   Liu, Fu Sheng ^a   Liu, Zheng Tang ^c  

^a SOUTHWEST JIAOTONG UNIVERSITY   (China)

^b HARBIN INSTITUTE OF TECHNOLOGY   (China)

^c NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

Computer simulations; Elasticity; Oxide materials; Phase transitions

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; ELASTICITY; FLUORSPAR; OXIDE MINERALS; PHASE STABILITY; PHASE TRANSITIONS; STABILITY; STRUCTURAL OPTIMIZATION; TITANIUM DIOXIDE;

ELASTIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; HEXAGONAL FE; HIGH PRESSURE; HOLLANDITES; OXIDE MATERIALS; STABILITY CONDITION; STRUCTURAL PARAMETER;

MECHANICAL STABILITY;

EID: 84922325759     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2015.01.085     Document Type: Article

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