First-principles calculations of optical and electronic properties of pure and Sm3+-doped TiO2

Physica B: Condensed Matter

Volumn 405, Issue 10, 2010, Pages 2450-2456

  Brik, M G ^a   Sildos, I ^a   Kiisk, V ^a  

^a UNIVERSITY OF TARTU   (Estonia)

Author keywords

Ab initio calculations; Electronic structure; Optical properties; Rare earth ions; TiO2

Indexed keywords

AB INITIO CALCULATIONS; DOPED-TIO; FIRST-PRINCIPLES CALCULATION; OPTICAL AND ELECTRONIC PROPERTIES; PURE COMPOUNDS; RARE EARTH IONS; RUTILE TIO; TIO; TOTAL DENSITY;

CALCULATIONS; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; METAL IONS; OXIDE MINERALS; RARE EARTHS; REFRACTIVE INDEX; TITANIUM DIOXIDE;

STRUCTURAL PROPERTIES;

EID: 77950565565     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.03.006     Document Type: Article

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