Araujo, RM, dos Santos Mattos, EF, Giroldo Valerio, ME and Jackson, RA ORCID: https://orcid.org/0000-0002-1163-6421 (2020) Computer Simulation of the Incorporation of V2+, V3+, V4+, V(5+)and Mo3+, Mo4+, Mo5+, Mo(6+)Dopants in LiNbO3. Crystals, 10 (6).

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Abstract

The doping of LiNbO(3)with V2+, V3+, V(4+)and V(5+)as well as Mo3+, Mo4+, Mo(5+)and Mo(6+)ions is of interest in enhancing its photorefractive properties. In this paper, possible incorporation mechanisms for these ions in LiNbO(3)are modelled, using a new set of interaction potentials fitted to the oxides VO, V2O3, VO2, V(2)O(5)and to LiMoO2, Li2MoO3, LiMoO3, Li2MoO4.

Item Type: Article
Additional Information: © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited
Uncontrolled Keywords: lithium niobate, divalent, trivalent, tetravalent, pentavalent and hexavalent doping, computer modelling
Subjects: Q Science > Q Science (General)
Q Science > QA Mathematics
Q Science > QA Mathematics > QA76 Computer software
Q Science > QC Physics
T Technology > T Technology (General)
T Technology > TA Engineering (General). Civil engineering (General)
Divisions: Faculty of Natural Sciences > School of Chemical and Physical Sciences
Depositing User: Symplectic
Date Deposited: 11 Aug 2020 14:47
Last Modified: 11 Aug 2020 14:47
URI: https://eprints.keele.ac.uk/id/eprint/8525

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