Rob Jackson's Website

Publications list

(1)    C R A Catlow and R A Jackson

‘Trapping and Solution of Fission Xe in UO2’

European Applied Research Reports, 5(6), 1333-1345 (1984)

(2)    R A Jackson and C R A Catlow

‘Trapping and Solution of Fission Xe in UO2: Part 1. Single Gas Atoms and Solution from Underpressurised Bubbles’

J. Nucl. Mater., 127, 161-166 (1985)

(3)    R A Jackson and C R A Catlow

‘Trapping and Solution of Fission Xe in UO2: Part 2. Solution from Small Overpressurised Bubbles’

J. Nucl. Mater., 127, 167-169 (1985)

(4)    R A Jackson, A D Murray and C R A Catlow

‘Calculation of the Basic Defect Energies of UO2’

Physica B, 131, 136-138 (1985)

(5)    R A Jackson, A D Murray and C R A Catlow

‘Theoretical Studies of the Point Defect Properties of UO2’

Ann. Chem. Fr., 10, 227-237 (1985)

(6)    R A Jackson, A D Murray, J H Harding and C R A Catlow

‘The Calculation of Basic Defect Parameters in UO2’

Phil. Mag. A, 53, 27-50 (1986)

(7)    R A Jackson, P Barnes and C R A Catlow

‘Computer Simulation of Hydrated Minerals’ in ‘Water and Aqueous Solutions

(eds G W Neilson and J E Enderby), 313-320 (1986) (Adam Hilger, Bristol)

(8)    G Aloisi, R Guidelli, R A Jackson, S M Clarke and P Barnes

‘The Structure of Water at a Neutral Interface’

J. Electroanal. Chem., 206, 131-137 (1986)

(9)    G Aloisi, R Guidelli, R A Jackson and P Barnes

‘A New Method to determine the Interfacial Tension in Monte Carlo Simulations’

Chem. Phys. Lett., 133, 343-346 (1987)

(10)  R A Jackson, C R A Catlow and A D Murray

‘Point Defect Calculations on UO2’

J. Chem. Soc. Far. Trans. 2, 83, 1171-1176 (1987)

(11)  R A Jackson and C R A Catlow

‘Computer Simulation Studies of Zeolite Structure’

Mol. Sim., 1, 207-224 (1988)

(12)  G Ooms, R A van Santen, R A Jackson and C R A Catlow

‘The Relative Stability of Zeolite Frameworks’

Stud. Surf. Sci. Catal., 37, 317-322 (1988)

(13)  C R A Catlow, C M Freeman, M S Islam, R A Jackson, M Leslie and S M Tomlinson

‘Interatomic Potentials for Oxides’

Phil. Mag. A., 58, 123-136 (1988)

(14)  G Ooms, R A van Santen, C J J den Ouden, R A Jackson and C R A Catlow

‘The Relative Stabilities of Zeolitic Aluminosilicates’

J. Phys. Chem., 92, 4462-4465 (1988)

(15)  C R A Catlow, P A Cox, R A Jackson, S C Parker, G D Price, S M Tomlinson and R Vetrivel

‘Industrial Applications of Simulation Studies in Solid State Chemistry’

Mol. Sim., 3, 46-69 (1989)

(16)  C J J den Ouden, B Smit, A F H Wielers, R A Jackson and A K Nowak

‘Computer Simulations in Zeolite Catalysis Research’

Mol. Sim., 4, 121-136 (1989)

(17)  C R A Catlow, B W H van Beest, A J M de Man, R A Jackson and R A van Santen

‘Rigid Ion and Shell Model Calculations of IR Spectra of Zeolitic Silica Polymorphs’

Stud. Surf. Sci. Catal., 49B, 763-771 (1989)

(18)  R A Jackson, R G Bell and C R A Catlow

‘Computer Simulation Studies of Zeolite Structure and Stability’

Stud. Surf. Sci. Catal., 52, 203-208 (1989)

(19)  C R A Catlow, R A Jackson and B Vessal

‘Modelling of Inorganic Crystals and Glasses using Many-Body Potentials’

in ‘Atomistic Simulation of Matter : beyond Pair Potentials‘, (eds V Vitek and D J Srolovitz), 167-180 (1989) (Plenum)

(20)  C R A Catlow, R A Jackson and J M Thomas

‘Computational Studies of Solid Oxidation Catalysts’

J. Phys. Chem., 94, 7889-7893 (1990)

(21)  S M Tomlinson, R A Jackson and C R A Catlow

‘A Computational Study of Zeolite Beta’

J. Chem. Soc. Chem. Commun ., 813-816 (1990)

(22)  J D Gale, A K Cheetham, R A Jackson, C R A Catlow and J M Thomas

‘Computing the Structure of Pillared Clays’

Adv. Mater., 2, 487-490 (1990)

(23)  G Aloisi, P Barnes, C R A Catlow, R A Jackson and A J Richards

‘A New Method for determining Water-Cation Short-Range Potentials for modelling Water in Aluminosilicate Lattices’

J. Chem. Phys., 93, 3573-3577 (1990)

(24)  C J J den Ouden, R A Jackson, C R A Catlow and M F M Post

‘Location of Ni2+ Ions in Siliceous Mordenite: a Computational Approach’

J. Phys. Chem., 94, 5286-5290 (1990)

(25)  R G Bell, R A Jackson and C R A Catlow

‘Computer Simulation of the Monoclinic Distortion in Silicalite’

J. Chem. Soc. Chem. Commun., 782-783 (1990)

(26)  R A Jackson

‘Computer Simulation of Inorganic Materials’

in: ‘Computer Modelling of Fluids, Polymers and Solids‘ (eds C R A Catlow, S C Parker and M P Allen)

NATO ASI Series C, 293, 395-404 (1990)

(27)  S Miller, D Fincham, R A Jackson and P J Mitchell

‘Transputer Molecular Dynamics with Electrostatic Forces’

in: ‘Applications of Transputers 2‘ (eds D J Pritchard and C J Scott) 264-271 (1990)

(28)  R A Jackson, C R A Catlow and J M Thomas

‘The Catalytic Activity of Zinc Chromate’

Catalysis Letters, 8, 385-390 (1991)

(29)  T S Bush, A V Chadwick, C R A Catlow, G N Greaves and R A Jackson

‘Structure in Rare-Earth Doped beta”-Alumina’

Rad. Eff. Def. Sol., 119-121, 487 – 492 (1991)

(30)  R A Jackson, J E Huntington and R G J Ball

‘Defect Calculations beyond the Dilute Limit’

J. Mater. Chem., 1, 1079-1080 (1991)

(31)  A Pavesi, M Catti, G D Price and R A Jackson

‘Interatomic Potentials for CaCO3 Polymorphs (Calcite and Aragonite), fitted to Elastic and Vibrational Data’

Phys. Chem. Minerals, 19, 80-87 (1992)

(32)  R A Jackson, S C Parker and P Tschaufeser

‘Lattice Energy and Free Energy Minimisation of Zeolites’,

in: ‘Modelling of Structure and Reactivity in Zeolites‘ (ed C R A Catlow), chapter 3, 43-61 (1992) (Academic Press)

(33)  R A Jackson and G D Price

‘A Transferable Interatomic Potential for Calcium Carbonate’

Mol. Sim., 9, 175-177 (1992)

(34)  R G Bell, R A Jackson and C R A Catlow

‘Lowenstein’s Rule in Zeolite A: A Computational Study’

Zeolites, 12, 870-871 (1992)

(35)  R G Bell, R A Jackson and C R A Catlow

‘Computer Modelling of Microporous Solids’

in: Proceedings from the Ninth International Zeolite Conference, Montreal 1992, 1,

(eds R von Ballmoos, J B Higgins, and M M J Treacy), 703-708 (1993)

(36)  M E G Valerio, J F de Lima, A R Blak and R A Jackson

‘Defect Simulations in CaF2 with AlF3, YbF3 and LaF3’

in Defects in Insulating Materials, 2, (eds O Kanert and J-M Spaeth), 786-791 (1993) (World Scientific)

(37)  D Brennan, R G Bell, C R A Catlow and R A Jackson

‘The Computer Modelling of Lanthanum in the Framework of Faujasite. Part I, Anhydrous Lanthanum Zeolite’

Zeolites, 14(8), 650-659 (1994)

(38)  D Brennan, C R A Catlow and R A Jackson

‘The Computer Modelling of Lanthanum in the Framework of Faujasite. Part II, Hydrated Lanthanum Zeolite-Y’

Zeolites, 14(8), 660-674 (1994)

(39)  R A Jackson, P Meenan, D Pugh, K J Roberts, G B Telfer and P J Wilde

‘Derivation of Interatomic Force-Fields for Alkali Perchlorates and their Application to Morphological Modelling’

The 1994 IChemE Research Event, 2, 698-700 (1994)

(40)  M J Akhtar, Z N Akhtar, R A Jackson and C R A Catlow

‘Computer Simulation of Strontium Titanate’

J. Amer. Cer. Soc ., 78(2), 421-428 (1995)

(41)  R A Jackson

‘Computer Modelling of Defects in Solids’

Pesq. Desenv. tecnol., 19, 6-8 (1995)

(42)  R A Jackson

‘Computer Modelling of Molecular Ionic Materials’

Pesq. Desenv. tecnol., 19, 9-10 (1995)

(43)  M E G Valerio, J F de Lima and R A Jackson

‘Defects Induced by Divalent Impurities in BaLiF3’

Pesq. Desenv. tecnol., 19, 11-13 (1995)

(44)  R A Jackson, G D Price, P Meenan, K J Roberts, G B Telfer and P J Wilde

‘Deriving Empirical Potentials for Molecular Ionic Materials’

Mineralogical  Magazine, 59, 617-622 (1995)

(45)  K Wright and R A Jackson

‘Computer Simulation of Zinc Sulphide: Derivation of Potentials and Calculation of Defect Properties’

J. Mater.Chem., 5(11), 2037-2040 (1995)

(46)  R A Jackson, P Meenan, K J Roberts, G B Telfer and P J Wilde

‘The Determination of a Transferable Interatomic Potential for Alkali Perchlorates and an Application to Morphological Modelling’

J. Chem. Soc. Faraday Transactions, 91(22), 4133-4138 (1995)

(47)  R A Jackson, J E Huntington and R G J Ball

‘Computer Simulation of Uranium Oxide Phases’

Rad. Eff. Def. Sol., 134, 161-164 (1995)

(48)  Y M Channon, C R A Catlow, R A Jackson and S L Owens

‘Loading and Location of Water Molecules in the Zeolite Clinoptilolite’

Stud. Surf. Sci. Catal., 97, 117-124 (1995)

(49)  G B Telfer, P J Wilde, R A Jackson, P Meenan and K J Roberts

‘Potential Fitting to Molecular Ionic Materials’

Phil. Mag. B, 73(1), 147-152 (1996)

(50)  G Heide, H Follner, R A Jackson and P J Wilde

‘The Nature of One-sided Intergrowths on the (001) Surface of Triclinic Centrosymmetric K2Cr2O7. Part II’

Crystal Research and Technology, 31(8), 959-967 (1996)

(51)  R A Jackson, M E G Valerio and J F de Lima

‘Computer Modelling of BaLiF3: I. Interionic potentials and intrinsic defects’

J. Phys. Condensed Matter, 8, 10931-10937 (1996)

(52)   D A Green, R L Harlow, P Meenan, D C Robertson, G B Telfer, K J Roberts,               R A Jackson and P J Wilde

‘Characterisation of Crystal Structure/Morphology Relationships’

In: Proceedings of The 5th World Congress of Chemical Engineering, San Diego, USA, , 5, 692 – 697 (1996)

(53)  G W Watson, P Tschaufeser, A Wall, R A Jackson and S C Parker

‘Lattice Energy and Free Energy Minimisation Techniques’

in Computer Modelling in Inorganic Crystallography (ed C R A Catlow)

chapter 3, 55-81 (1997) (Academic Press)

(54)  G B Telfer, J D Gale, K J Roberts, R A Jackson, P J Wilde and P Meenan

‘A Transferable Interatomic Potential for Alkali Chlorates and Bromates’

Acta Cryst., A53, 415-420 (1997)

(55)  M E G Valerio, R A Jackson and J F de Lima

‘Computer Modelling of BaLiF3: II. Defects produced by divalent dopants’

J. Phys. Condensed Matter, 10(15), 3353-3358 (1998)

(56)  Y M Channon, C R A Catlow, A M Gorman and R A Jackson

‘A Grand Canonical Monte Carlo Investigation of Water Adsorption in Heulandite-Type Zeolites’

J. Phys. Chem. B, 102(21), 4045-4048 (1998)

(57)  G Clydesdale, K J Roberts, G B Telfer, V R Saunders, D Pugh, R A Jackson and P Meenan

‘Prediction of the Polar Morphology of Sodium Chlorate using Surface-specific Attachment Energy Calculations’

J. Phys. Chem. B, 102(36), 7044-7049 (1998)

(58)  F Azough, R Freer, K Wright and R A Jackson

‘A Computer Simulation Study of Point Defects in Diopside and the Self-diffusion of Mg and Ca by a Vacancy Mechanism’

Mineralogical Magazine, 62(5), 599-606 (1998)

(59)   Y M Channon, C R A Catlow, R A Jackson and S L Owens

‘A Computational Investigation into the Effect of Extra Framework Cations on the Structural Composition of Heulandite-Type Zeolites’

Microporous and Mesoporous Materials, 24, 153-161 (1998)

(60)  K J Roberts, G B Telfer, R A Jackson, P J Wilde and P Meenan

‘Morphological Modelling  of Inorganic Particulates: Alkali Perchlorate Systems’

in: Proceedings of IChemE World Congress on Particle Technology, Brighton, UK (1998)

(61)  K A Mort, P J Wilde and R A Jackson

‘Computer Modelling of Ammonium Nitrate. 1. Development of potentials and calculation of lattice properties’

J. Phys. Condensed Matter, 11(20), 3967-3972 (1999)

(62)   R A Jackson (ed)

Proceedings, 8th European Conference on Defects on Insulating Materials, Keele (1998)

Radiation Effects and Defects in Solids, 149-151, 1-1135 (1999)

(63)   M E G Valerio, J F de Lima and R A Jackson

‘Computer Modelling of BaLiF3: III. Substitution of La3+, Nd3+ and Y3+ ions’

Radiation Effects and Defects in Solids, 151(1-4), 1061-1066 (1999)

(64)   G Heide, H Follner, R A Jackson and P J Wilde

‘Computer Simulations of Crystal Growth Defects’

Radiation Effects and Defects in Solids, 151(1-4), 1129-1135 (1999)

(65)  K A Mort, R A Jackson and P J Wilde

‘The Road to Ammonium Nitrate’

Abstr. Pap. Am. Chem. S. 217: U708-U708 Part 1 (Mar 21 1999)

(66)   R A Jackson and K A Mort

‘Computer Modelling of Complex Molecular Ionic Materials’

Computational Materials Science, 17(2-4), 230-233 (2000)

(67)   M E G Valerio, R A Jackson and J F de Lima

‘Derivation of Potentials for the Rare-earth Fluorides, and the Calculation of Lattice and Intrinsic Defect Properties’’

J. Phys. Condensed Matter, 12, 7727-7734 (2000)

(68)   L S Barreto, K A Mort, R A Jackson and O L Alves

‘Computer Modelling of Alkali Metal Carboxylates’

J. Phys. Condensed Matter, 12, 9389-9394 (2000)

(69)  R A Jackson, M E G Valerio and J F de Lima

‘Computer Modelling of Rare-Earth Dopants in BaLiF3

J. Phys. Condensed Matter, 13, 2147-2154 (2001)

(70)   R A Jackson, M E G Valerio and J F de Lima

‘Computer Modelling of Defects and Dopants in Barium Lithium Fluoride’

in Mass and Charge Transport in Inorganic Materials: Fundamentals to Devices

(eds P Vincenzini, V Buscaglia), vol.1 (2001) (Techna, Italy)

(71)   R A Jackson

‘Potential Models for Calcium Carbonate’

http://preprint.chemweb.com/physchem/0107001

(72)   R A Jackson

‘Computer Modelling of Molecular Ionic Materials’

Current Opinion in Solid State and Materials Science, 5, 463-467 (2001)

(73)   R A Jackson, M E G Valerio and J F de Lima

‘Computer Modelling of Materials for Solid-State Laser Applications’

Radiation Effects and Defects in Solids, 154, 243-247 (2001)

(74)   G E Rush, A V Chadwick, R A Jackson, M E G Valerio and J F de Lima

‘Ionic Transport in Barium Lithium Fluoride’

Radiation Effects and Defects in Solids, 155, 393-396 (2001)

(75)   L S Barreto, K A Mort, R A Jackson and O L Alves

‘Molecular Dynamics Simulation of Anhydrous Lithium Acetate: Crystalline and Molten Phases’

Journal of Non-Crystalline Solids, 303, 281-290 (2002)

(76)   L. Wondraczek, G. Heide, M. Kilo, N. Nedeljkovic, G. Borchardt and R A Jackson

‘Computer Simulation of Defect Structure in Sillimanite and Mullites’

Physics and Chemistry of Minerals, 29, 341-345 (2002)

(77)   R A Jackson and M E G Valerio

‘A Computational Study of the Influence of Oxygen Incorporation on Crystal Growth and Contamination in BaLiF3

Nuclear Instruments and Methods in Physics Research B, 191, 32-36 (2002)

(78)   A L Braybrook, B R Heywood, R A Jackson and K Pitt

‘Parallel Computational and Experimental Studies of the Morphological Modification of Calcium Carbonate by Cobalt’

Journal of Crystal Growth, 243, 336-344 (2002)

(79)   F A Wahid, G B Thomson, G M Graham and R A Jackson

‘A Computational Study of the Effect of doping Divalent Cations in Barite’

Journal of Materials Chemistry, 12, 3799-3802 (2002)

(80)   L S Barreto, O L Alves and R A Jackson

‘Molecular Dynamics Simulations of the Structure and Properties of Lithium Acetate Glass’

Physics and Chemistry of Glasses, 43C, 119-23 (2002)

(81)   R A Jackson, D F Plant, M E G Valerio and J B Amaral

‘Computer Modelling of Defects and Dopants in Mixed Metal Fluorides’

Radiation Effects and Defects in Solids, 157, 795-798 (2002)

(82)   R A Jackson, G Heide  and M E G Valerio

‘Computer Modelling of the Structure, Lattice and Defect Properties Of F- And OH-Topaz’

Radiation Effects and Defects in Solids, 157, 845-848 (2002)

(83)     M Kilo, C Fundenberger, Ch. Argirusis, M A Taylor, G Borchardt, M Weller and        R A Jackson

‘Experimental and Theoretical Investigation of Oxygen Diffusion in Stabilised Zirconia’

Radiation Effects and Defects in Solids, 157, 1077-1083 (2002)

(84)   M A Couto dos Santos, M E G Valerio, R A Jackson and J F de Lima

‘Predicting the spectroscopic behaviour of Eu3+ in BaLiF3 via defect modelling and crystal field parameter calculations’

Chemical Physics Letters, 369 (1-2), 90-94 (2003)

(85)   J B Amaral, D F Plant, M E G Valerio and R A Jackson

‘Computer modelling of defect structure and rare earth doping in LiCaAlF6 and LiSrAlF6

J. Phys. Condensed Matter, 15, 2523-2533 (2003)

(86)   M Kilo, Ch. Argirusis, G Borchardt and R A Jackson

‘Oxygen Diffusion in Yttria Stabilised Zirconia – Experimental Results and Molecular Dynamics Calculations’

Physical Chemistry Chemical Physics, 5(11), 2219-2224 (2003)

(87) M Kilo, M A Taylor, Ch Argirusis, G Borchardt, S Weber, H Scherrer and R A Jackson

‘Lanthanide diffusion in calcia stabilised zirconia: experimental and theoretical study’

Solid Oxide Fuel Cells VIII (SOFC VIII), Paris 2003, Electrochemical Society Proceedings, S.C. Singhal, M. Dokiya (Eds.), 2003, 214-221 (2003)

(88)   M Kilo, G Borchardt and R A Jackson

‘Computer Modelling of Ion Migration in Zirconia’

Philosphical Magazine B, 83(29), 3309-3325 (2003)

(89)   R A Jackson and M E G Valerio

‘Computer modelling of doping and ion implantation in F/OH topaz’

Nuclear Instruments and Methods in Physics Research B, 218C, 42-45 (2004)

(90)   R A Jackson  and M E G Valerio

‘Computer modelling of radiation generated defects in BGO scintillators’

Nuclear Instruments and Methods in Physics Research B, 218C, 145-147 (2004)

(91)   J B Amaral, M E G Valerio, M A Couto dos Santos and R A Jackson

‘Defect simulation and crystal field studies of Ln3+: LiCaAlF6 and LiSrAlF6

Nuclear Instruments and Methods in Physics Research B, 218C, 232-235 (2004)

(92)   R A Jackson and M E G Valerio

‘A computational study of the structure, lattice and defect properties of F- and OH-topaz’

J. Phys. Condensed Matter, 16, S2771-S2779 (2004)

(93)  R A Jackson, M E G Valerio, M A Couto dos Santos and J B Amaral

‘Computer modelling of the optical properties of doped mixed metal fluoride materials’

Advances in Science and Technology, 42-46 (2004)

(94)   R A Jackson, M E G Valerio, M A Couto dos Santos and J B Amaral

‘Computer modelling of mixed metal fluorides for optical applications’

Dalton Transactions 19, 3098-3100 (2004)

(95)   M Kilo, M A Taylor, C Argirusis, G Borchardt, S Weber, H Scherrer and R A Jackson

‘Lanthanide transport in stabilised zirconias: interrelation between ionic radius and diffusion coefficient’

Journal of Chemical Physics, 121 (11), 5482-5487 (2004)

(96)   M Kilo, M A Taylor, C Argirusis, G Borchardt, R A Jackson, O Schulz, M Martin,        M Weller

‘Modelling of cation diffusion in oxygen ion conductors using molecular dynamics’

Solid State Ionics, 175, 823–827 (2004)

(97)   J B Amaral, A C Lewis, M E G Valerio and R A Jackson

‘Computer modelling of divalent, trivalent and tetravalent ion doping in LiCaAlF6 & LiSrAlF6

Journal of Physics: Condensed Matter, 16, 8733-8741 (2004)

(98)   R A Jackson, M E G Valerio, M A Couto dos Santos and J B Amaral

‘Computer modelling of the optical behaviour of rare earth dopants in BaY2F8

Phys. Stat. Sol. (c), 2 (1), 476-480 (2005)

(99)   M E G Valerio, R A Jackson and Z S Macedo

‘Modelling intrinsic defects and transport mechanisms in the bismuth germanate crystalline system’

Phys. Stat. Sol. (c), 2 (1), 485-489 (2005)

(100)   R A Jackson and M E G Valerio

‘A new interatomic potential for the ferroelectric and paraelectric phases of LiNbO3

Journal of Physics: Condensed Matter, 17, 837-843 (2005)

(101)   J B Amaral, M A Couto dos Santos, M E G Valerio and R A Jackson

‘Computer modelling of BaY2F8: defect structure, rare earth doping and optical behaviour’

Applied Physics B, 81 (6), 841-846 (2005)

(102)   R A Jackson, M E G Valerio, K Lengyel, and L Kovács

‘A new potential for lithium niobate and its application in the calculation of structure and defect properties’

12th International Symposium on Electrets (ISE 12), Proceedings  469–471 (2005)

(103)   R M Araujo, K Lengyel, R A Jackson, L Kovács and M E G Valerio

‘A computational study of intrinsic and extrinsic defects in LiNbO3

Journal of Physics: Condensed Matter, 19, 046211 (2007)

(104)   A C S de Mello, G C Santana, R A Jackson, Z S Macedo, S G C Moreira and          M E G Valerio

‘Optical properties of pure and Cr3+ doped BGO ceramic scintillators’

Phys. Stat. Sol. (c), 4 (3), 980-983 (2007)

(105)   A N Blacklocks, A V Chadwick, R A Jackson and K B Hutton

‘Investigation into thallium sites and defects in doped scintillation crystals’

Phys. Stat. Sol. (c), 4 (3), 1008-1011 (2007)

(106) R A Jackson, M E G Valerio, J B Amaral, M A Couto dos Santos and E M Maddock

‘Computer modelling of the optical properties of rare-earth dopant metal fluorides’

Phys. Stat. Sol. (c), 4 (3), 1185-1188 (2007)

(107)   R M Araujo, K Lengyel, R A Jackson, M E G Valerio and L Kovács

‘Computer modelling of intrinsic and substitutional defects in LiNbO3

Phys. Stat. Sol. (c), 4 (3), 1201-1204 (2007)

(108)   M E G Valerio, V G Ribeiro, A C S de Mello, M A C dos Santos, S L Baldochi,          V L Mazzocchi, C B R  Parente, R A Jackson and J B Amaral

‘Structural and optical properties of Nd- and Tb-doped BaY2F8

Optical Materials 30, 184-187 (2007)

(109)   R M Araujo, M E G Valerio, and R A Jackson

‘Computer modelling of trivalent metal dopants in lithium niobate’

Journal of Physics: Condensed Matter, 20, 035201 (2008)

(110)   R A Jackson, E M Maddock and M E G Valerio

‘Computer modelling of doped mixed metal fluorides and oxides for device applications: rare earth, sodium and barium doped KYF4

Nuclear Instruments and Methods in Physics Research B, 266 (12), 2715-2718 (2008)

(111)   R B Hammond, M J Orley, K J Roberts, R A Jackson and M J Quayle

‘An examination of the influence of divalent cationic dopants on the bulk and surface properties of Ba (NO3)2 associated with crystallisation’

Crystal Growth and Design, 9 (6), 2588-2594 (2009)

(112) R A Jackson, J B Amaral, M E G Valerio, D P DeMille and E R Hudson

‘Computer modelling of thorium doping in LiCaAlF6 and LiSrAlF6: application to the development of solid state optical frequency devices

Journal of Physics: Condensed Matter 21, 325403 (2009)

(113) R A Jackson, J A Dawson, M E G Valerio and Z S Macedo

‘Computer modelling of Bi12TiO20: intrinsic defects, ion migration and rare earth ion incorporation’

Optical Materials 32, 1375–1376 (2010)

(114) M S D Read and R A Jackson

‘Derivation of enhanced potentials for Uranium Dioxide and the calculation of lattice and intrinsic defect properties’

Journal of Nuclear Materials 406, 293-303 (2010)

(115) E M Maddock, R A Jackson and M E G Valerio

‘Computer modelling of intrinsic defects and rare earth doping in KYF4, K2YF5 and KY3F10

Journal of Physics: Conference Series 249 012040 (2010)

(116) M V dos S Rezende, R M Araujo, M E G Valerio and R A Jackson

‘Intrinsic Defects in Strontium Aluminates studied via Computer Simulation Technique’

Journal of Physics: Conference Series 249 012042 (2010)

(117) R A Jackson, E M Maddock and M E G Valerio

‘Computer modelling of rare earth dopants in KYF materials: bulk and surface studies’

IOP Conf. Series: Materials Science and Engineering 15 012014 (2010)

(118) R A Jackson, T E Littleford, G E Newby and D F Plant

‘Computer modelling of rare earth doping in BMF and YLF

IOP Conf. Series: Materials Science and Engineering 15 012048 (2010)

(119) W G Rellergert, S T Sullivan, D DeMille, R R Greco, M P Hehlen, R A Jackson,         J R Torgerson, and E R Hudson

‘Progress towards fabrication of 229Th-doped high energy band-gap crystals for use as a solid-state optical frequency reference’

IOP Conf. Series: Materials Science and Engineering 15 012005  (2010)

(120) M V S Rezende, M E G Valerio and R A Jackson

‘Computer modelling of the reduction of rare earth dopants in barium aluminate’

J. Solid State Chemistry 184, 1903–1908 (2011)

(published online at: http://dx.doi.org/10.1016/j.jssc.2011.05.053)

(121) M V S Rezende, M E G Valerio and R A Jackson

‘Modelling the concentration dependence of rare earth doping in inorganic materials for optical applications: application to rare earth doped barium aluminate’

Optical Materials 34, 109-118 (2011)

(published online at: http://dx.doi.org/10.1016/j.optmat.2011.07.025)

(122) M V S Rezende, P J Montes, M E G Valerio, R A Jackson

‘The optical properties of Eu3+ doped BaAl2O4: a computational and spectroscopic study’

Optical Materials, 34(8), 1434-1439 (2012)

(published online at: http://dx.doi.org/10.1016/j.optmat.2012.02.050)

(123)   T E Littleford, R A Jackson, M S D Read

‘An atomistic surface simulation study predicting morphologies and segregation in YLF’

Surface Science 606 1550–1555 (2012)

(published online at: http://dx.doi.org/10.1016/j.susc.2012.06.002)

(124) M P Hehlen, R R Greco, W G Rellergert, S T Sullivan, D DeMille, R A Jackson, E R Hudson, J R Torgerson

‘Optical spectroscopy of an atomic nucleus: Progress toward direct observation of the 229Th isomer transition’

Journal of Luminescence 133, 91-95 (2013)

(published online at: http://dx.doi.org/10.1016/j.jlumin.2011.09.037)

(125) T E Littleford, R A Jackson, M S D Read

‘Modelling rare-earth doped BaMgF4: a potential laser material’

Phys. Stat. Sol. C 10 (2) 153-155 (2013)

DOI 10.1002/pssc.201200455

(126) T E Littleford, R A Jackson, M S D Read

‘An atomistic simulation study of the effects of dopants on the morphology of YLiF4

Phys. Stat. Sol. C 10 (2) 156-159 (2013)

 DOI 10.1002/pssc.201200456

(127)  J B Amaral, J R de Moraes, S L Baldochi, R A Jackson, M E G Valerio

‘Computer modelling of undoped and Eu3+-doped LiLa(WO4)2

Phys. Stat. Sol. C 10 (2) 165-167 (2013)

DOI 10.1002/pssc.201200510

(128) S R Walker, R A Jackson, M S D Read

‘Atomistic modelling of actinide oxides for nuclear fuel applications’

Phys. Stat. Sol. C 10 (2) 197-201 (2013)

DOI 10.1002/pssc.201200513

(129) P Dessovic, P Mohn, R A Jackson, G Winkler, M Schreitl, G Kazakov, T Schumm

229Thorium-doped calcium fluoride for nuclear laser spectroscopy’

Journal of Physics: Condensed Matter 26, 105402 (2014)

DOI 10.1088/0953-8984/26/10/105402

(130) M S D Read, S R Walker, R A Jackson

‘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 (2014)

http://dx.doi.org/10.1016/j.jnucmat.2014.01.020

(131) K D Becker, S Ganschow, R Bertram, R A Jackson, H Fritze, P Fielitz, G Borchardt

‘Tantalum and niobium diffusion in single crystalline lithium niobate’

Solid State Ionics 259, 14-20 (2014)

http://dx.doi.org/10.1016/j.ssi.2014.02.005

(132) M Mujaji, J Burrows, R  A Jackson

‘Optical spectroscopy of the Nd3+ and Nd3+ – Gd3+/Yb3+ centres in BaF2 single crystals and calculations on lanthanide-doped BaF2

Journal of Luminescence 151, 106-110 (2014)

http://dx.doi.org/10.1016/j.jlumin.2014.02.011

(133) M P Hehlen, W L Boncher, S D Melgaard, M W Blair, R A Jackson, T E Littleford,
S P Love

‘Preparation of high-purity LiF, YF3, and YbF3 for laser refrigeration’

Proc. SPIE 9000, Laser Refrigeration of Solids VII, 900004 (February 19, 2014)

doi:10.1117/12.2039547

(134) R M Araujo, M E G Valerio, R A Jackson

‘Computer simulation of metal co-doping in lithium niobate’

Proc. R. Soc. A 470, 20140406 (2014)

doi: 10.1098/rspa.2014.0406

(135) M V S Rezende, M E G Valerio, R A Jackson

‘Study of Eu3+→ Eu2+ reduction in BaAl2O4:Eu prepared in different gas atmospheres’

Materials Research Bulletin 61, 348-351 (2014)

(136) R A Jackson, M E G Valerio

‘Modelling the concentration dependence of doping in optical materials’

IOP Conf. Series: Materials Science and Engineering 80, 012010 (2015)

doi: 10.1088/1757-899X/80/1/012010

(137) M V S Rezende, J B Amaral, M E G Valerio, R A Jackson

‘Optical properties of Pr and Eu-doped SrAl12O19: a theoretical study’

Optical Materials 48, 105-109 (2015)

http://dx.doi.org/10.1016/j.optmat.2015.07.032

(138) P Fielitz, G Borchardt, R A Jackson

‘Host anion and cation diffusion in lithium niobate at high temperatures’

Ann. Chim. Sci. Mat. 39 (3-4), 217-224 (2015)

doi:10.3166/acsm.39.217-224

(139) M V S Rezende, D J Santos, R A Jackson, M EG Valerio, Z S Macedo

‘Atomistic simulation and XAS investigation of Mn induced defects in Bi12TiO20

 Journal of Solid State Chemistry 238, 210–216 (2016)

http://dx.doi.org/10.1016/j.jssc.2016.03.029

(140) A J Jeffery, R Gertisser, R A Jackson, B O’Driscoll, A Kronz

‘On the compositional variability of dalyite, K2ZrSi6O15: a new occurrence from Terceira, Azores’.

Mineralogical Magazine 80 (4), 547–565 (2016)

(141) R A Jackson, L A Kavanagh, R A Snelgrove

‘Computer modelling of double doped SrAl2O4 for phosphor applications’

IOP Conf. Ser.: Mater. Sci. Eng. 169, 012004 (2017)

https://doi.org/10.1088/1757-899X/169/1/012004

(142)   M E G Valerio, R A Jackson, F G Bridges

‘EXAFS simulations in Zn-doped LiNbO3 based on defect calculations’

IOP Conf. Ser.: Mater. Sci. Eng. 169 012003 (2017)

https://doi.org/10.1088/1757-899X/169/1/012003