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Robert Jackson's Outputs (42)

A computational and spectroscopic study of Dy3+ doped BaAl2O4 phosphors (2018)
Journal Article
Jackson. (2018). A computational and spectroscopic study of Dy3+ doped BaAl2O4 phosphors. Optical Materials, 328 - 332. https://doi.org/10.1016/j.optmat.2018.06.039

Computational and experimental methods are employed to study the optical properties of Dy-doped BaAl2O4 matrix. Atomistic modelling is used to make predictions of Dy doping sites and charge compensation schemes. The symmetry predicts from atomistic m... Read More about A computational and spectroscopic study of Dy3+ doped BaAl2O4 phosphors.

The Gaia-ESO Survey: a kinematical and dynamical study of four young open clusters (2018)
Journal Article
Jeffries, R., Jackson, R., & Wright, N. (2018). The Gaia-ESO Survey: a kinematical and dynamical study of four young open clusters. Astronomy & Astrophysics, https://doi.org/10.1051/0004-6361/201832645

Context
The origin and dynamical evolution of star clusters is an important topic in stellar astrophysics. Several models have been proposed in order to understand the formation of bound and unbound clusters and their evolution, and they can be test... Read More about The Gaia-ESO Survey: a kinematical and dynamical study of four young open clusters.

Modelling of Intrinsic Defects in CaYAl3O7 (2018)
Journal Article
da C. Bispo, G., Jackson, R., & Valerio, M. (2018). Modelling of Intrinsic Defects in CaYAl3O7. Acta Physica Polonica A, 133(4), 781-784. https://doi.org/10.12693/aphyspola.133.781

CaYAl3O7 presents a challenge for computer modelling techniques because of its site-occupancy disorder related to the Ca/Y shared site. Supercells were built to reproduce experimental results which have the best agreement and lowest lattice energy. T... Read More about Modelling of Intrinsic Defects in CaYAl3O7.

Computer modelling of hafnium doping in lithium niobate (2018)
Journal Article
Jackson, R., Valerio, M., & Araujo, R. (2018). Computer modelling of hafnium doping in lithium niobate. Crystals, 123. https://doi.org/10.3390/cryst8030123

Lithium niobate, LiNbO3, is an important technological material with good electro-optic, acousto-optic, elasto-optic, piezoelectric and nonlinear properties. Doping LiNbO3 with hafnium, Hf has been shown to improve the resistance of the material to o... Read More about Computer modelling of hafnium doping in lithium niobate.

Computer modelling of double doped SrAl2O4 for phosphor applications (2017)
Journal Article
Jackson, R. A., Kavanagh, L. A., & Snelgrove, R. A. (2017). Computer modelling of double doped SrAl2O4 for phosphor applications. IOP Conference Series: Materials Science and Engineering, 169, Article 012004. https://doi.org/10.1088/1757-899x/169/1/012004

This paper describes a modelling study of SrAl2O4, which has applications as a phosphor material when doped with Eu2+ and Dy3+ ions. The procedure for modelling the pure and doped material is described and then results are presented for the single an... Read More about Computer modelling of double doped SrAl2O4 for phosphor applications.

On the compositional variability of dalyite, K2ZrSi6O15: a new occurrence from Terceira, Azores (2016)
Journal Article
Jeffery, A., Gertisser, R., Jackson, R., O'Driscoll, B., & Kronz, A. (2016). On the compositional variability of dalyite, K2ZrSi6O15: a new occurrence from Terceira, Azores. Mineralogical Magazine, 547-565. https://doi.org/10.1180/minmag.2016.080.018

The rare potassium zirconium silicate dalyite has been identified for the first time on Terceira, Azores, within syenitic ejecta of the Caldeira-Castelinho Ignimbrite Formation. New quantitative analyses of this dalyite were combined with the small n... Read More about On the compositional variability of dalyite, K2ZrSi6O15: a new occurrence from Terceira, Azores.

Atomistic simulation and XAS investigation of Mn induced defects in Bi12 TiO20 (2016)
Journal Article
Jackson. (2016). Atomistic simulation and XAS investigation of Mn induced defects in Bi12 TiO20. Journal of Solid State Chemistry, 210 -216. https://doi.org/10.1016/j.jssc.2016.03.029

This work reports an investigation of the valence and site occupancy of Mn dopants in Bi12TiO20 (BTO: Mn) host using X-ray Absorption (XAS) and atomistic simulation techniques based on energy minimisation. X-ray Absorption Near Edge Structure (XANES)... Read More about Atomistic simulation and XAS investigation of Mn induced defects in Bi12 TiO20.

Optical properties of Pr and Eu-doped SrAl12O19: A theoretical study (2015)
Journal Article
Jackson. (2015). Optical properties of Pr and Eu-doped SrAl12O19: A theoretical study. Optical Materials, 105 - 109. https://doi.org/10.1016/j.optmat.2015.07.032

This paper describes a computational study of extrinsic defect and optical properties of SrAl12O19 induced by trivalent rare earth dopants. Solution energies for a range of possible doping mechanisms are calculated, and predictions made of doping sit... Read More about Optical properties of Pr and Eu-doped SrAl12O19: A theoretical study.

Modelling the concentration dependence of doping in optical materials (2015)
Journal Article
Jackson. (2015). Modelling the concentration dependence of doping in optical materials. IOP Conference Series: Materials Science and Engineering, https://doi.org/10.1088/1757-899X/80/1/012010

As well as understanding the location of dopants in optical materials, it is also important to understand how much dopant can be added to a given material. A method for calculating the maximum concentration of dopants has been developed, and applied... Read More about Modelling the concentration dependence of doping in optical materials.

Study of Eu3+ -> Eu2+ reduction in BaAl2O4:Eu prepared in different gas atmospheres (2015)
Journal Article
Jackson. (2015). Study of Eu3+ -> Eu2+ reduction in BaAl2O4:Eu prepared in different gas atmospheres. Materials Research Bulletin, 348 -351. https://doi.org/10.1016/j.materresbull.2014.10.054

The effect of different gas atmospheres such as H2(g), synthetic air, carbon monoxide (CO) and nitrogen (N2) on the Eu3+ ? Eu2+ reduction process during the synthesis of Eu-doped BaAl2O4 was studied using synchrotron radiation. The Eu3+ ? Eu2+ reduct... Read More about Study of Eu3+ -> Eu2+ reduction in BaAl2O4:Eu prepared in different gas atmospheres.

Computer simulation of metal co-doping in lithium niobate (2014)
Journal Article
Araujo, R. M., Valerio, M. E. G., & Jackson, R. A. (2014). Computer simulation of metal co-doping in lithium niobate. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 470(2171), Article 20140406. https://doi.org/10.1098/rspa.2014.0406

Lithium niobate, LiNbO3, is an important technological material with good electro-optic, acousto-optic, elasto-optic, piezoelectric and nonlinear properties. Computer modelling provides a useful means of determining the properties of the material, in... Read More about Computer simulation of metal co-doping in lithium niobate.

Tantalum and niobium diffusion in single crystalline lithium niobate (2014)
Journal Article
Fielitz, P., Borchardt, G., Ganschow, S., Bertram, R., Jackson, R., Fritze, H., & Becker, K. (2014). Tantalum and niobium diffusion in single crystalline lithium niobate. Solid State Ionics, 259, 14-20. https://doi.org/10.1016/j.ssi.2014.02.005

LiNbO3 and LiTaO3 are isomorphous and Nb and Ta have the same valence electron configuration and the same ionic radii. This suggests the use of Ta as a tracer to probe the self-diffusion of Nb in LiNbO3. The diffusion system consisted of a 20 nm laye... Read More about Tantalum and niobium diffusion in single crystalline lithium niobate.

229Thorium-doped calcium fluoride for nuclear laser spectroscopy. (2014)
Journal Article
Jackson. (2014). 229Thorium-doped calcium fluoride for nuclear laser spectroscopy. Journal of Physics: Condensed Matter, 105402 -105402. https://doi.org/10.1088/0953-8984/26/10/105402

The (229)thorium isotope presents an extremely low-energy isomer state of the nucleus which is expected around 7.8 eV, in the vacuum ultraviolet (VUV) regime. This unique system may bridge between atomic and nuclear physics, enabling coherent manipul... Read More about 229Thorium-doped calcium fluoride for nuclear laser spectroscopy..

Preparation of high-purity LiF, YF3, and YbF3for laser refrigeration (2014)
Presentation / Conference Contribution
Hehlen, M. P., Boncher, W. L., Melgaard, S. D., Blair, M. W., Jackson, R. A., Littleford, T. E., & Love, S. P. Preparation of high-purity LiF, YF3, and YbF3for laser refrigeration. Presented at SPIE OPTO, San Francisco, California, United States

The role of transition-metal impurities in Yb3+-doped YLiF4 (YLF) laser-cooling crystals is studied. Divalent 3d transition-metal ions, in particular Fe2+, are found to have strong absorptions at the laser cooling pump wavelength and degrade the cool... Read More about Preparation of high-purity LiF, YF3, and YbF3for laser refrigeration.

Derivation of enhanced potentials for plutonium dioxide and the calculation of lattice and intrinsic defect properties (2014)
Journal Article
Read, M. S., Walker, S. R., & Jackson, R. A. (2014). Derivation of enhanced potentials for plutonium dioxide and the calculation of lattice and intrinsic defect properties. Journal of Nuclear Materials, 448(1-3), 20-25. https://doi.org/10.1016/j.jnucmat.2014.01.020

A new potential has been derived for plutonium dioxide and used to calculate its lattice and defect properties. The Pu4+ ⋯ O2− potential is obtained via a combination of empirical fitting to crystal structural data and parametric fitting to additiona... Read More about Derivation of enhanced potentials for plutonium dioxide and the calculation of lattice and intrinsic defect properties.

Modelling rare‐earth doped BaMgF 4 : a potential laser material (2013)
Journal Article
Littleford, T. E., Jackson, R. A., & Read, M. S. D. (2013). Modelling rare‐earth doped BaMgF 4 : a potential laser material. physica status solidi (c), 10(2), 153-155. https://doi.org/10.1002/pssc.201200455

Solid-state optical materials are a continuing field of study that has many important applications including lasers. BaMgF4 is one material has been studied in detail however, no studies into the surface properties or crystal morphology have been car... Read More about Modelling rare‐earth doped BaMgF 4 : a potential laser material.

An atomistic simulation study of the effect of dopants on the morphology of YLiF 4 (2013)
Journal Article
Littleford, T. E., Jackson, R. A., & Read, M. S. D. (2013). An atomistic simulation study of the effect of dopants on the morphology of YLiF 4. physica status solidi (c), 10(2), 156-159. https://doi.org/10.1002/pssc.201200456

Solid-state optical materials are a continuing field of study that has many important applications including lasers. YLiF4 is one material has been studied in detail however, no studies into the surface properties or crystal morphology have been carr... Read More about An atomistic simulation study of the effect of dopants on the morphology of YLiF 4.

Atomistic modelling of actinide oxides for nuclear fuel applications (2012)
Journal Article
Walker, S. R., Jackson, R. A., & Read, M. S. D. (2013). Atomistic modelling of actinide oxides for nuclear fuel applications. physica status solidi (c), 10(2), 197-201. https://doi.org/10.1002/pssc.201200513

Atomistic computer simulations were performed for the actinide oxides (UO2, PuO2 and MOX) in the temperature range 300 K-2000 K, in order to elucidate the physical and defect properties of these nuclear fuel materials. Parameterised cation-anion Buck... Read More about Atomistic modelling of actinide oxides for nuclear fuel applications.