Dynamical stability and phase transition of ZrC under pressure

Phase Transitions

Volumn 85, Issue 12, 2012, Pages 1060-1069

  Rathod, Nikita ^a,b   Gupta, Sanjeev K ^a   Jha, Prafulla K ^a  

^a BHAVNAGAR UNIVERSITY   (India)

^b Vadodara Institute of Engineering   (India)

Author keywords

Elastic; Electron phonon interaction; Electronic structure; First principles calculation; Phase transition; Phonons

Indexed keywords

CSCL STRUCTURE; DYNAMICAL CALCULATIONS; DYNAMICAL STABILITY; ELASTIC; ELECTRON-PHONON COUPLING CONSTANT; ELECTRONIC BAND STRUCTURE; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GROUND STATE PROPERTIES; IMAGINARY FREQUENCY; LATTICE DEGREE OF FREEDOM; PHONON DENSITY OF STATE; PHONON DISPERSION CURVES; PHONON MODE; PHONON PROPERTIES; ROCK SALT; TRANSITION METAL CARBIDE; VIBRATIONAL PROPERTIES; ZIRCONIUM CARBIDE;

CARBIDES; CESIUM ALLOYS; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELECTRON-PHONON INTERACTIONS; ELECTRONIC STRUCTURE; PHASE TRANSITIONS; PHONONS; SODIUM CHLORIDE; STABILITY;

ZIRCONIUM COMPOUNDS;

EID: 84870602421     PISSN: 01411594     EISSN: 10290338     Source Type: Journal    
DOI: 10.1080/01411594.2012.661862     Document Type: Article

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