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

Jackson

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.

Citation

Jackson. (2020). Computer Simulation of the Incorporation of V2+, V3+, V4+, V(5+)and Mo3+, Mo4+, Mo5+, Mo(6+)Dopants in LiNbO3. Crystals, https://doi.org/10.3390/cryst10060457

• Acceptance Date: May 6, 2020
• Publication Date: Jun 1, 2020
• 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