The first principles study on LaS compound

Computational Materials Science

Volumn 43, Issue 2, 2008, Pages 313-318

  Soyalp, F ^a  

^a YUZUNCU YIL UNIVERSITY   (Turkey)

Author keywords

Electronic band structure; LaS; Phonon dispersion

Indexed keywords

CALCULATIONS; CESIUM ALLOYS; ELASTIC MODULI; LATTICE CONSTANTS; PHONONS; PRESSURE; PROBABILITY DENSITY FUNCTION; SODIUM ALLOYS;

AB INITIO CALCULATIONS; ATOMIC DISPLACEMENT PATTERN; BULK MODULUS; DENSITY OF STATES (DOF); DENSITY-FUNCTIONAL (DF); DYNAMICAL PROPERTIES; ELSEVIER (CO); EXPERIMENTAL RESULTS; FIRST PRINCIPLES STUDIES; FIRST-ORDER PRESSURE; GENERALIZED GRADIENT (GGA) APPROXIMATIONS; LATTICE (CO); LINEAR RESPONSE (LR) APPROACH; PHONON DISPERSION CURVES; PHONON SPECTRUMS; TRANSITION PRESSURES;

DENSITY FUNCTIONAL THEORY;

EID: 46949093878     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.11.006     Document Type: Article

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