First-principles study of ground-state properties and high pressure behavior of ThO2

Journal of Nuclear Materials

Volumn 399, Issue 2-3, 2010, Pages 181-188

  Wang, Bao Tian ^a,b   Shi, Hongliang ^b,c   Li, Wei Dong ^a   Zhang, Ping ^b  

^a SHANXI UNIVERSITY   (China)

^b INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

^c INSTITUTE OF SEMICONDUCTORS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING NATURE; BULK MODULUS; EXPERIMENTAL MEASUREMENTS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; FLUORITE STRUCTURE; GROUND STATE PROPERTIES; HIGH PRESSURE; HIGH-PRESSURE BEHAVIOR; ISO-STRUCTURAL TRANSITION; MECHANICALLY STABLE; PHONON DISPERSIONS; POISSON'S RATIO; PRESSURE REGIONS; SHEAR MODULUS; STRUCTURE BEHAVIOR; YOUNG'S MODULUS;

DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FLUORSPAR; GROUND STATE; MECHANICAL PROPERTIES;

PHASE TRANSITIONS;

EID: 77950341124     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2010.01.017     Document Type: Article

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