Structural phase transition and mechanical properties of TiO2 under high pressure

Physica Status Solidi (B) Basic Research

Volumn 250, Issue 10, 2013, Pages 2206-2214

  Fu, Zhao ^a   Liang, Yongcheng ^a   Wang, Shiming ^a   Zhong, Zheng ^b  

^a SHANGHAI OCEAN UNIVERSITY   (China)

^b TONGJI UNIVERSITY   (China)

Author keywords

Density functional theory; Phase diagram; Phase transitions; Pressure; Structure; Titanium oxide

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; EQUATIONS OF STATE; FLUORSPAR; HIGH PRESSURE ENGINEERING; MAGNETIC SEMICONDUCTORS; MECHANICAL PROPERTIES; OXIDE MINERALS; PHASE DIAGRAMS; PHASE TRANSITIONS; PRESSURE; PYRITES; STRUCTURE (COMPOSITION); TITANIUM DIOXIDE; TITANIUM OXIDES;

FIRST-PRINCIPLES CALCULATION; HIGH PRESSURE; MEASURED VALUES; PRESSURE AND TEMPERATURE; STRUCTURAL PHASE TRANSITION; SUPERHARD MATERIAL; ULTRAHIGH PRESSURE; WHOLE PRESSURE RANGES;

PHOSPHORUS COMPOUNDS;

EID: 84885472897     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.201349186     Document Type: Article

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