Electronic and structural properties of the surfaces and interfaces of indium oxide

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Indium sesquioxide is a transparent conducting oxide material widely used in solar cell and solid-state lighting devices. Following our recent successes in modeling the electronic and defect properties of In 2O 3, we report an investigation of the surface physics of this material. In the ground-state bixbyite phase, the surface energies follow the order (100)>(110)>(111), with the charge neutral (111) termination being the lowest energy cleavage plane; the same ordering preferences have been established for materials adopting the parent fluorite (AB 2) structure. Our first-principles predictions, based on density functional theory, are confirmed through collaboration with the group of Russell Egdell at Oxford University, who grew epitaxial In 2O 3 single crystals on lattice matched (100),(110) and (111) Y-stabilized zirconia substrates, and observed that (111) facets spontaneously form on other low index terminations. Furthermore, we have performed work function analysis of the low index In 2O 3 surfaces using a hybrid density functional, which is found to be in very good agreement with recent experiments.

Original languageEnglish
Title of host publicationPhysics of Semiconductors - 30th International Conference on the Physics of Semiconductors, ICPS-30
Pages189-190
Number of pages2
DOIs
Publication statusPublished - 2011 Dec 1
Event30th International Conference on the Physics of Semiconductors, ICPS-30 - Seoul, Korea, Republic of
Duration: 2010 Jul 252010 Jul 30

Publication series

NameAIP Conference Proceedings
Volume1399
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

Other30th International Conference on the Physics of Semiconductors, ICPS-30
CountryKorea, Republic of
CitySeoul
Period10/7/2510/7/30

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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  • Cite this

    Walsh, A. (2011). Electronic and structural properties of the surfaces and interfaces of indium oxide. In Physics of Semiconductors - 30th International Conference on the Physics of Semiconductors, ICPS-30 (pp. 189-190). (AIP Conference Proceedings; Vol. 1399). https://doi.org/10.1063/1.3666319