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Rationalisation of defect structure of tin- and titanium-doped α-Fe2O3 using interatomic potential calculations

Berry, Frank J.; Bohórquez, Alberto and Moore, Elaine A. (1998). Rationalisation of defect structure of tin- and titanium-doped α-Fe2O3 using interatomic potential calculations. Solid State Communications, 109(3) pp. 207–211.

DOI (Digital Object Identifier) Link: https://doi.org/10.1016/S0038-1098(98)00494-3
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Abstract

Two recently proposed models for the defect structure of tin-doped α-Fe2O3 have been assessed using interatomic potential calculations. The results show that a structure involving tin (or titanium) partially substituting at the octahedral iron sites as well as partially occupying the empty interstitial octahedral sites in corundum-related α-Fe2O3 is more favourable than an alternative model in which the tin (or titanium) ions only occupy the empty interstitial sites.

Item Type: Journal Item
Copyright Holders: 1998 Elsevier Science Ltd.
ISSN: 0038-1098
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Life, Health and Chemical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Item ID: 51642
Depositing User: Elaine Moore
Date Deposited: 03 Apr 2018 15:14
Last Modified: 07 Dec 2018 10:58
URI: http://oro.open.ac.uk/id/eprint/51642
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