The structural phase transition and elastic properties of IrN under high pressure from first-principles calculations

Journal of Alloys and Compounds

Volumn 537, Issue , 2012, Pages 216-220

  Li, Weihu ^a,b  

^a Tibet Agriculture and Animal Husbandry University   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

Elastic properties; First principles study; IrN; Phase transition

Indexed keywords

CESIUM CHLORIDE; COMPRESSIONAL; ELASTIC PROPERTIES; EXPERIMENTAL CONFIRMATION; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; HIGH PRESSURE; IRN; PHASE SEQUENCE; PSEUDOPOTENTIAL PLANE-WAVE METHOD; QUANTITATIVE INVESTIGATION; ROCK SALT; SHEAR WAVE VELOCITY; STRUCTURAL PHASE TRANSITION; THEORETICAL CALCULATIONS; WURTZITES; ZINC BLENDE;

CESIUM; CESIUM COMPOUNDS; CHLORINE COMPOUNDS; DEBYE TEMPERATURE; ELASTIC MODULI; ELASTICITY; PHASE TRANSITIONS; TUNGSTEN; TUNGSTEN CARBIDE; ZINC SULFIDE;

CALCULATIONS;

EID: 84862763097     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.05.070     Document Type: Article

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