Computational approach for structure design and prediction of optical properties in amorphous TiO2 thin-film coatings

Journal of Physics D: Applied Physics

Volumn 46, Issue 32, 2013, Pages

  Köhler, Thomas ^a   Turowski, Marcus ^b   Ehlers, Henrik ^b   Landmann, Marc ^c   Ristau, Detlev ^b   Frauenheim, Thomas ^a  

^a UNIVERSITY OF BREMEN   (Germany)

^b LASER ZENTRUM HANNOVER E V   (Germany)

^c UNIVERSITY OF PADERBORN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); AMORPHOUS THIN FILMS; COMPUTATIONAL APPROACH; MOLECULAR DYNAMICS SIMULATIONS; QUANTUM-MECHANICAL SIMULATION; RADIAL DISTRIBUTION FUNCTIONS; STRUCTURAL AND ELECTRONIC PROPERTIES; TIGHT-BINDING APPROACHES;

COATINGS; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; TITANIUM DIOXIDE;

ELECTRONIC PROPERTIES;

EID: 84881123939     PISSN: 00223727     EISSN: 13616463     Source Type: Journal    
DOI: 10.1088/0022-3727/46/32/325302     Document Type: Article

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