Ab-initio calculation of structural and electrical properties of amorphous TiO 2

Materials Science and Technology Conference and Exhibition 2011, MS and T'11

Volumn 1, Issue , 2011, Pages 12-20

  Prasai, Binay ^a   Cai, Bin ^a   Drabold, D A ^a   Underwood, M K ^b   Lewis, Ames P ^b  

^a OHIO UNIVERSITY   (United States)

^b WEST VIRGINIA UNIVERSITY   (United States)

Author keywords

Amorphous titania; Properties of titania

Indexed keywords

AB INITIO CALCULATIONS; AMORPHOUS NETWORKS; AMORPHOUS TIO; AMORPHOUS TITANIA; ANGLE DISTRIBUTION; BULK CRYSTALLINE; CONDUCTION BAND EDGE; COORDINATION NUMBER; EDGE SHARING; ELECTRONIC GAP; FIRST PRINCIPLE SIMULATION; PAIR CORRELATIONS; PARTICIPATION RATIOS; PROPERTIES OF TITANIA; STRUCTURAL AND ELECTRICAL PROPERTIES; STRUCTURAL FEATURE; TI ATOMS; TIO; VALENCE BAND EDGES;

ATOMS; COMPUTER SIMULATION; CRYSTALLINE MATERIALS; ELECTRIC PROPERTIES; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; MATERIALS PROPERTIES; MATERIALS SCIENCE; TECHNOLOGY; TITANIUM DIOXIDE;

AMORPHOUS MATERIALS;

EID: 84856207852     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

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