Ab initio study of phonons in the rutile structure of TiO2

Journal of Physics and Chemistry of Solids

Volumn 66, Issue 6, 2005, Pages 1069-1073

  Sikora, Roman ^a  

^a UNIVERSITY OF RZESZÓW   (Poland)

Author keywords

A. Oxides; C. Ab initio calculations; D. Crystal structure; D. Lattice dynamics; D. Phonons

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; LATTICE VIBRATIONS; MATHEMATICAL MODELS; NEUTRON SCATTERING; OXIDES; PHONONS; THERMODYNAMICS;

AB INITIO CALCULATIONS; ATOMIC CHARGES; LINEAR RESPONSE; RUTILE STRUCTURE;

TITANIUM DIOXIDE;

EID: 18844394761     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2005.01.007     Document Type: Article

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