First principles linear response calculations of phonons for ScP and ScAs

Solid State Communications

Volumn 147, Issue 5-6, 2008, Pages 198-200

  Uǧur, S ̧ ^a   Soyalp, F ^b  

^a GAZI UNIVERSITY   (Turkey)

^b YUZUNCU YIL UNIVERSITY   (Turkey)

Author keywords

D. Dynamical properties; D. Phonons

Indexed keywords

CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELASTIC MODULI; FREQUENCY RESPONSE; LATTICE CONSTANTS; PHONONS; PIGMENTS; STRUCTURAL PROPERTIES;

AB INITIO PSEUDOPOTENTIAL METHOD; BULK MODULUS; DENSITY OF STATES (DOF); DENSITY-FUNCTIONAL THEORY (DFT); ELSEVIER (CO); FIRST PRINCIPLES; FIRST-ORDER PRESSURE; LATTICE (CO); LINEAR RESPONSE (LR); LINEAR RESPONSE (LR) APPROACH; PHONON DISPERSION CURVES; PHONON FREQUENCIES; PHONON PROPERTIES; TWO MATERIALS;

DENSITY FUNCTIONAL THEORY;

EID: 46249117004     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2008.05.021     Document Type: Article

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