Phase transition and thermodynamic properties of TiN under pressure via first-principles calculations

Journal of Thermal Analysis and Calorimetry

Volumn 110, Issue 2, 2012, Pages 973-978

  Liu, Ke ^a,b   Zhou, Xiao Lin ^a   Chen, Hai Hua ^b   Lu, Lai Yu ^a  

^a SICHUAN NORMAL UNIVERSITY   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

Phase transition; Thermodynamic property; TiN

Indexed keywords

CSCL STRUCTURE; DENSITY FUNCTIONAL THEORY METHODS; FIRST-PRINCIPLES CALCULATION; GROUND STATE PROPERTIES; PLANE WAVE; PRESSURE DERIVATIVES; PSEUDOPOTENTIALS; QUASI-HARMONIC DEBYE MODEL;

CESIUM ALLOYS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; PHASE TRANSITIONS; SODIUM CHLORIDE; THERMAL EXPANSION; THERMODYNAMIC PROPERTIES; TIN; TITANIUM NITRIDE;

CALCULATIONS;

EID: 84870924479     PISSN: 13886150     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10973-011-1927-5     Document Type: Conference Paper

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