The structure, dynamical and thermodynamic properties of α - Li3 N: A first-principles study

Solid State Communications

Volumn 149, Issue 47-48, 2009, Pages 2130-2134

  Zhao, Yuna ^a   Tian, Xiaofeng ^a   Xue, Wenhui ^a   Gao, Tao ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

A. Insulators; D. Phonons; D. Thermodynamic properties

Indexed keywords

A. INSULATORS; AB INITIO; BORN EFFECTIVE CHARGE; BRILLOUIN ZONES; D. PHONONS; D. THERMODYNAMIC PROPERTIES; DENSITY OF STATE; DIELECTRIC PERMITTIVITIES; DYNAMICAL PROPERTIES; ENTHALPY CHANGE; EXPERIMENTAL VALUES; FIRST-PRINCIPLES STUDY; HARMONIC APPROXIMATION; HEAT CAPACITIES; HELMHOLTZ FREE ENERGY; PHONON DISPERSION CURVES; PHONON DISPERSIONS; PHONON FREQUENCIES; TEMPERATURE DEPENDENCE; VIBRATIONAL MODES;

ACOUSTIC DISPERSION; DISPERSIONS; FREE ENERGY; PERMITTIVITY; PHONONS; STRAIN MEASUREMENT; TENSORS; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY;

EID: 70350097206     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2009.09.029     Document Type: Article

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