Electronic Structure And Linear Optical Properties Of Ta-Doped TiO2

Electronic structure of anatase TiO 2 doped with Ta is investigated using density function theory and fullpotential linearized augmented plane wave method (FLAPW). Specifically, the band structure and total density of states are investigated and compared with the pure TiO 2 . Linear optical property...

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Bibliographic Details
Published in2021 3rd International Symposium on Material and Electrical Engineering Conference (ISMEE) pp. 115 - 118
Main Authors Qibtiya, Mariya Al, Mulyanti, Budi, Hasanah, Lilik, Hamidah, Ida, Wulandari, Chandra, Pawinanto, Roer Eka
Format Conference Proceeding
LanguageEnglish
Published IEEE 10.11.2021
Subjects
Band structures
Behavioral sciences
Density functional theory
dielectric function
Dielectrics
Electrical engineering
electronic structure
Optical materials
optical properties
TiO 2
Titanium dioxide
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Summary:Electronic structure of anatase TiO 2 doped with Ta is investigated using density function theory and fullpotential linearized augmented plane wave method (FLAPW). Specifically, the band structure and total density of states are investigated and compared with the pure TiO 2 . Linear optical property, specifically dielectric function, is also investigated. Results of the calculations shows that Ta-doped TiO 2 has dopant states near the conduction bands and slightly metallic behavior. The dielectric function of Ta-doped TiO 2 also shows combination of semiconducting and metallic features, especially at low photon frequency.
DOI:10.1109/ISMEE54273.2021.9774041