First principles phonon calculations in materials science

Scripta Materialia

Volumn 108, Issue , 2015, Pages 1-5

  Togo, Atsushi ^a,b   Tanaka, Isao ^a,b,c  

^a KYOTO UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c JAPAN FINE CERAMICS CENTER   (Japan)

Author keywords

First principles phonon calculation; Thermal ellipsoid; Thermal expansion

Indexed keywords

CALCULATIONS; OPEN SOURCE SOFTWARE; OPEN SYSTEMS; PHONONS;

DYNAMICAL BEHAVIORS; FIRST PRINCIPLE PHONON CALCULATION; FIRST PRINCIPLES; FUNDAMENTAL EQUATIONS; MATERIAL SCIENCE; OPEN-SOURCE CODE; PHONON CALCULATION; PHONON PROPERTIES; THERMAL ELLIPSOIDS;

THERMAL EXPANSION;

EID: 84939772753     PISSN: 13596462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.scriptamat.2015.07.021     Document Type: Article

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