@article{623f494c23484ccbad9fdaeca544a783,
title = "W-doped anatase TiO2 transparent conductive oxide films: Theory and experiment",
abstract = "W-doped anatase TiO2 films were deposited on glass substrate by magnetron cosputtering. The minimum resistivity, 1.5× 10 -2ω cm, for Ti1-x Wx O2 film (x=0.063) was obtained. X-ray photoelectron spectroscopy analysis shows W incorporated in the Ti lattice position is mostly in the W6+ state. Theoretical calculations based upon the density-functional theory were applied to analyze the electronic structure and conducting mechanism. The strong hybridization of Ti 3d states with W 5d states is the dominate factor to cause the shifting in Fermi level into conduction band. Our results suggest that tungsten is a favorable dopant to form TiO2 -based transparent conducting oxide materials.",
author = "Chen, {De Ming} and Gang Xu and Lei Miao and Chen, {Li Hua} and Setsuo Nakao and Ping Jin",
note = "Funding Information: This work was supported by the National High Technology Research and Development Program of China (Grant No. 2007AA03Z326) and the Department of Science and Technology of Guangdong Province (Grant Nos. 2008B010600047 and 2009205115). We highly acknowledge Dr. S. H. Bao for his helpful discussions and experimental assistance. FIG. 1. Resistivity of Ti 1 − x W x O 2 at room temperature as a function of x analyzed by RBS. The minimum ρ value is 1.5 × 10 − 2 Ω cm for Ti 1 − x W x O 2 film occurring at x = 0.063 . FIG. 2. XRD patterns of (a) Ti 1 − x W x O 2 films, (b) expected powder diffraction of anatase TiO 2 [Joint Committee for Powder Diffraction Standard (JCPDS) 21–1272], and (c) expected powder diffraction of rutile TiO 2 (JCPDS 21–1272). FIG. 3. XPS fitting spectra of the W 4 f region for Ti 1 − x W x O 2 ( x = 0.063 ) film. FIG. 4. (a) Electronic band structure and (b) projected DOS for undoped anatase TiO 2 . (c) Electronic band structure and (d) projected DOS for W-doped anatase TiO 2 . The horizontal dotted line in (a) and (c), and the vertical solid one in (b) and (d) indicate the Fermi level. FIG. 5. The (010) plane electron density difference distributions of (a) undoped and (b) W-doped anatase TiO 2 . Blue and red denote the regions of charge gain and charge loss, respectively. ",
year = "2010",
doi = "10.1063/1.3326940",
language = "English",
volume = "107",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics Publising LLC",
number = "6",
}