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Computer modelling of Bi12SiO20 and Bi4Si3O12: Intrinsic defects and rare earth ion incorporation (2020)
Journal Article
Jackson. (2020). Computer modelling of Bi12SiO20 and Bi4Si3O12: Intrinsic defects and rare earth ion incorporation. Journal of Solid State Chemistry, https://doi.org/10.1016/j.jssc.2020.121608

Defect properties of Bi12SiO12 and Bi4Si3O12 compounds were investigated using atomistic computer modelling techniques based on energy minimisation. Interatomic potentials obtained by empirical fitting reproduce the lattice parameters for both materi... Read More about Computer modelling of Bi12SiO20 and Bi4Si3O12: Intrinsic defects and rare earth ion incorporation.

Computer Simulation of the Incorporation of V2+, V3+, V4+, V(5+)and Mo3+, Mo4+, Mo5+, Mo(6+)Dopants in LiNbO3 (2020)
Journal Article
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

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

Site-selective laser spectroscopy and defect configurations of the Nd3+-Li+ centres in ZnO powders (2020)
Journal Article
Jackson. (2020). Site-selective laser spectroscopy and defect configurations of the Nd3+-Li+ centres in ZnO powders. Journal of Alloys and Compounds, 153306 - 153306. https://doi.org/10.1016/j.jallcom.2019.153306

Near-infrared emission in the 885–915?nm region was observed for two distinct Nd3+ centres that co-exist in hexagonal wurtzite ZnO:1?mol%Nd3+:10?mol%Li+ powders. The powder samples were prepared by sintering in air at 950?°C and the emission, attribu... Read More about Site-selective laser spectroscopy and defect configurations of the Nd3+-Li+ centres in ZnO powders.