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Experimental and density-functional study of the electronic structure of In(4)Sn(3)O(12)


Reference:

O'Neil, D. H., Walsh, A., Jacobs, R. M. J., Kuznetsov, V. L., Egdell, R. G. and Edwards, P. P., 2010. Experimental and density-functional study of the electronic structure of In(4)Sn(3)O(12). Physical Review B, 81 (8), 085110.

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Official URL:

http://dx.doi.org/10.1103/PhysRevB.81.085110

Abstract

The electronic structure of In(4)Sn(3)O(12) has been studied by optical and x-ray photoemission spectroscopies and has been compared to electronic structure calculations carried out using density-functional theory. An excellent agreement is found between the experimental valence-band structure and that predicted by the calculations. The valence band derives its dominant character from O 2p states with three distinct features emerging from the hybridization with In and Sn 5s, 5p, and 4d states, respectively. The position of the valence-band edge in the x-ray photoemission spectrum suggests a fundamental electronic gap of 2.7 eV whereas the onset of strong optical absorption is predicted to occur at 3.3 eV.

Details

Item Type Articles
CreatorsO'Neil, D. H., Walsh, A., Jacobs, R. M. J., Kuznetsov, V. L., Egdell, R. G. and Edwards, P. P.
DOI10.1103/PhysRevB.81.085110
Uncontrolled Keywordsoptical-properties, indium oxide, thin-films, semiconductors, basis-set, wave, total-energy calculations, transparent conductors, sn-doped in2o3, x-ray photoemission, gap
DepartmentsFaculty of Science > Chemistry
RefereedYes
StatusPublished
ID Code23980

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