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Computer Simulation of the Incorporation of V2+, V3+, V4+, V(5+)and Mo3+, Mo4+, Mo5+, Mo(6+)Dopants in LiNbO3

Jackson

Computer Simulation of the Incorporation of V2+, V3+, V4+, V(5+)and Mo3+, Mo4+, Mo5+, Mo(6+)Dopants in LiNbO3 Thumbnail


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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.

Acceptance Date May 6, 2020
Publication Date Jun 1, 2020
Publicly Available Date Mar 28, 2024
Journal Crystals
Publisher MDPI
DOI https://doi.org/10.3390/cryst10060457
Keywords lithium niobate, divalent, trivalent, tetravalent, pentavalent and hexavalent doping, computer modelling
Publisher URL https://www.mdpi.com/2073-4352/10/6/457

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