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 we report an investigation of the surface physics of this material. In the ground‐state bixbyite phase, the surface energies follow the order 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 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 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 surfaces using a hybrid density functional, which is found to be in very good agreement with recent experiments.
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23 December 2011
PHYSICS OF SEMICONDUCTORS: 30th International Conference on the Physics of Semiconductors
25–30 July 2010
Seoul, (Korea)
Research Article|
December 23 2011
Electronic and structural properties of the surfaces and interfaces of indium oxide
Aron Walsh
Aron Walsh
University College London, Department of Chemistry, Materials Chemistry, Third Floor, Kathleen Lonsdale Building, Gower Street, London WC1E 6BT, United Kingdom; and Laboratory for Computational Physical Sciences and Surface Physics Laboratory, Fudan University, Shanghai 200433, China
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Aron Walsh
University College London, Department of Chemistry, Materials Chemistry, Third Floor, Kathleen Lonsdale Building, Gower Street, London WC1E 6BT, United Kingdom; and Laboratory for Computational Physical Sciences and Surface Physics Laboratory, Fudan University, Shanghai 200433, China
AIP Conf. Proc. 1399, 189–190 (2011)
Citation
Aron Walsh; Electronic and structural properties of the surfaces and interfaces of indium oxide. AIP Conf. Proc. 23 December 2011; 1399 (1): 189–190. https://doi.org/10.1063/1.3666319
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