Staff Profile | School of Mathematics, Statistics and Physics

Dr Mark Rayson

Senior Lecturer in Physics

Publications

Al-hadidi M, Goss JP, Al-hamadany R, Briddon PR, Rayson MJ. Ab initio calculations of carbon impurities in ferroelectric lead titanate. In: International Conference for Students on Applied Engineering (ICSAE). 2017, Newcastle, UK: IEEE.
Torres VJB, Hajj Hussein R, Pages O, Rayson MJ. Clustering/anticlustering effects on the GeSi Raman spectra at moderate (Ge,Si) contents: Percolation scheme vs. ab initio calculations. Journal of Applied Physics 2017, 121(8), 085704.
Al-Hadidi M, Goss JP, Al-Ani OA, Briddon PR, Rayson MJ. Density functional calculations of carbon substituting for Zr in barium zirconate. Journal of Crystal Growth 2017, 468, 728-731.
Al-Ani OA, Goss JP, Al-Hadidi M, Briddon PR, Rayson MJ, Cowern NEB. Impact of grain boundary structures on trapping iron. Journal of Crystal Growth 2017, 468, 448-451.
Vuong A, Trevethan T, Latham CD, Ewels CP, Erbahar D, Briddon PR, Rayson MJ, Heggie MI. Interlayer vacancy defects in AA-stacked bilayer graphene: Density functional theory predictions. Journal of Physics Condensed Matter 2017, 29(15), 155304.
Al-Ani OA, Goss JP, Briddon PR, Rayson MJ, Cowern NEB. Interstitial Fe-pairs in silicon. Journal of Crystal Growth 2017, 468, 54-56.
Al-Ani OA, Goss JP, Al-Hadidi M, Briddon PR, Rayson MJ, Cowern NEB. Voids in silicon as a sink for interstitial iron: A density functional study. Journal of Crystal Growth 2017, 468, 101-103.
Al-Ani OA, Goss JP, Cowern NEB, Briddon PR, Al-Hadidi M, Al-Hamadany R, Rayson MJ. A density functional study of iron segregation at ISFs and Sigma-5-(001) GBs in mc-Si. Solid State Phenomena 2016, 242, 224-229.
Peaker CV, Atumi MK, Goss JP, Briddon PR, Horsfall AB, Rayson MJ, Jones R. Assignment of ¹³C hyperfine interactions in the P1-center in diamond. Diamond and Related Materials 2016, 70, 118-123.
Al-Hadidi M, Goss JP, Briddon PR, Al-hamadany R, Ahmed M, Rayson MJ. Association of oxygen vacancies with carbon impurity in strontium titanate: first principles calculations. Ferroelectrics 2016, 497(1), 9-14.
Belabbas I, Chen J, Heggie MI, Latham CD, Rayson MJ, Briddon PR, Nouet G. Core properties and mobility of the basal screw dislocation in wurtzite GaN: a density functional theory study. Modelling and Simulation in Materials Science and Engineering 2016, 24(7).
Rio J, Erbahar D, Rayson M, Briddon P, Ewels CP. Cyclotetrahalo-p-phenylenes: simulations of halogen substituted cycloparaphenylenes and their interaction with C-60. Physical Chemistry Chemical Physics 2016, 18(33), 23257-23263.
Oberg S, Adjizian JJ, Erbahar D, Rio J, Humbert B, Dossot M, Soldatov A, Lefrant S, Mevellec JY, Briddon P, Rayson MJ, Ewels CP. Effect of functionalization and charging on resonance energy and radial breathing modes of metallic carbon nanotubes. Physical Review B 2016, 93(4), 045408.
Al-Hadidi M, Goss JP, Briddon PR, Al-Hamadany R, Ahmed M, Rayson MJ. First-principles investigation of carbon substitution for lead in ferroelectric lead titanate. Ferroelectrics 2016, 498(1), 12-17.
Al-Ani OA, Sabaawi AMA, Goss JP, Cowern NEB, Briddon PR, Rayson MJ. Investigation into efficiency-limiting defects in mc-Si solar cells. Solid State Phenomena 2016, 242, 96-101.
Rashid M, Tiwari AK, Goss JP, Rayson MJ, Briddon PR, Horsfall AB. Surface-state dependent optical properties of OH-, F-, and H-terminated 4H-SiC quantum dots. Physical Chemistry Chemical Physics 2016, 18, 21676-21685.
Zhachuk RA, Coutinho J, Rayson MJ, Briddon PR. Buckling of reconstruction elements of the edges of triple steps on vicinal Si(111) surfaces. Journal of Experiemental and Theoretical Physics 2015, 120(4), 632-637.
Al-Hadidi M, Goss JP, Briddon PR, AL-Hamadany R, Ahmed M, Rayson MJ. Carbon impurities in SrTiO₃ from first principles. Modelling and Simulation in Materials Science and Engineering 2015, 23, 015002.
Al-Hadidi MS, Goss JP, Briddon PR, Al-Hamadany RA, Ahmed ME, Rayson MJ. Density functional simulation of carbon at the titanium site in perovskite barium titanate. In: 12TH EUROPHYSICAL 12th Europhysical Conference on Defects in Insulating Materials (EURODIM 2014). 2015, Canterbury, UK: IOP Publishing.
Peaker CV, Goss JP, Briddon PR, Horsfall AB, Rayson MJ. Di-nitrogen-vacancy-hydrogen defects in diamond: a computational study. Physica Status Solidi (A) 2015, 212(11), 2616-2620.
Latham CD, McKenna AJ, Trevethan TP, Heggie MI, Rayson MJ, Briddon PR. On the validity of empirical potentials for simulating radiation damage in graphite: a benchmark. Journal of Physics: Condensed Matter 2015, 27(31), 316301.
Ewels CP, Rocquefelte X, Kroto HW, Rayson MJ, Briddon PR, Heggie MI. Predicting experimentally stable allotropes: Instability of penta-graphene. Proceedings of the National Academy of Sciences of the United States of America 2015, 112(51), 15609-15618.
Kioseoglou J, Pavloudis T, Kehagias T, Komninou P, Karakostas T, Latham CD, Rayson MJ, Briddon PR, Eickhoff M. Structural and electronic properties of GaN nanowires with embedded InxGa1-_xN nanodisks. Journal of Applied Physics 2015, 118(3), 034301.
Peaker CV, Goss JP, Briddon PR, Horsfall AB, Rayson MJ. The vacancy-hydrogen defect in diamond: A computational study. Physica Status Solidi(A) 2015, 212(11), 2431-2436.
Rashid M, Tiwari AK, Wood N, Briddon P, Goss JP, Rayson MJ, Wright N, Horsfall AB. Tuning Optoelectronic Properties of 4H-SiC QDs Using-H,-OH and-F Surface Functionalisation. Materials Science Forum 2015, 821-823, 375-378.
Santos P, Coutinho J, Torres VJB, Rayson MJ, Briddon PR. Hydrogen passivation of titanium impurities in silicon: Effect of doping conditions. Applied Physics Letters 2014, 105(3), 032108.
Goss JP, Briddon PR, Hill V, Jones R, Rayson MJ. Identification of the structure of the 3107 cm^-1 H-related defect in diamond. Journal of Physics: Condensed Matter 2014, 26(14), 145801.
Trevethan T, Latham CD, Heggie MI, Rayson MJ, Briddon PR. Interlayer vacancy diffusion and coalescence in graphite. Physical Review B 2014, 90(17), 174108.
Ewels CP, Erbahar D, Wagner P, Rocquefelte X, Arenal R, Pochet P, Rayson M, Scardamaglia M, Bittencourt C, Briddon P. Nitrogen segregation in nanocarbons. Faraday Discussions 2014, 173, 215-232.
Pereira RN, Coutinho J, Niesar S, Oliveira TA, Aigner W, Wiggers H, Rayson MJ, Briddon PR, Brandt MS, Stutzmann M. Resonant Electronic Coupling Enabled by Small Molecules in Nanocrystal Solids. Nano Letters 2014, 14(7), 3817-3826.
Zhachuk R, Teys S, Coutinho J, Rayson MJ, Briddon PR. Static and dynamic buckling of reconstructions at triple steps on Si(111) surfaces. Applied Physics Letters 2014, 105(17), 171602.
Tiwari AK, Goss JP, Briddon PR, Horsfall AB, Wright NG, Jones R, Rayson MJ. Unexpected change in the electron affinity of diamond caused by the ultra-thin transition metal oxide films. Europhysics Letters 2014, 108(4), 46005.
Trevethan T, Latham CD, Heggie MI, Briddon PR, Rayson MJ. Vacancy diffusion and coalescence in graphene directed by defect strain fields. Nanoscale 2014, 6(5), 2978-2986.
Atumi MK, Goss JP, Briddon PR, Rayson MJ. Atomistic modeling of the polarization of nitrogen centers in diamond due to growth surface orientation. Physical Review B 2013, 88(24), 245301.
Wagner P, Ewels CP, Adjizian JJ, Magaud L, Pochet P, Roche S, Lopez-Bezanilla A, Ivanovskaya VV, Yaya A, Rayson M, Briddon P, Humbert B. Band Gap Engineering via Edge-Functionalization of Graphene Nanoribbons. Journal of Physical Chemistry C 2013, 117(50), 26790-26796.
Atumi MK, Goss JP, Briddon PR, Shrif FE, Rayson MJ. Hyperfine interactions at nitrogen interstitial defects in diamond. Journal of Physics: Condensed Matter 2013, 25(6), 065802.
AL-Hamadany R, Goss JP, Briddon PR, Mojarad SA, O'Neill AG, Rayson MJ. Impact of tensile strain on the oxygen vacancy migration in SrTiO₃: Density functional theory calculations. Journal of Applied Physics 2013, 113(22), 224108-1-224108-8.
Carvalho A, Oberg S, Rayson MJ, Briddon PR. Increased Electronic Coupling in Silicon Nanocrystal Networks Doped with F₄-TCNQ. Journal of Nanoscience and Nanotechnology 2013, 13(2), 1035-1038.
Al-Hamadany R, Goss JP, Briddon PR, Mojarad SA, Al-Hadidi M, O'Neill AG, Rayson MJ. Oxygen vacancy migration in compressively strained SrTiO3. Journal of Applied Physics 2013, 113(2), 024108.
Tiwari AK, Goss JP, Briddon PR, Wright NG, Horsfall AB, Rayson MJ. Transition metal oxide-diamond interfaces for electron emission applications. In: 9th European Conference on Silicon Carbide and Related Materials. 2013, St. Petersburg, Russian Federation: Trans Tech Publications, Inc.
Tiwari AK, Goss JP, Briddon PR, Wright NG, Horsfall AB, Rayson MJ. Ultra thin transition metal oxide coatings on diamond for thermionic applications. In: MRS Fall Meeting & Exhibit. 2013, Boston, Massachusetts: Cambridge University Press.
Tiwari AK, Goss JP, Briddon PR, Wright NG, Horsfall AB, Rayson MJ. Bromine functionalisation of diamond: An ab initio study. Physica Status Solidi A 2012, 209(9), 1703-1708.
Tiwari AK, Goss JP, Briddon PR, Wright NG, Horsfall AB, Rayson MJ. Effect of different surface coverages of transition metals on the electronic and structural properties of diamond. Physica Status Solidi A 2012, 209(9), 1697-1702.
Carvalho A, Rayson MJ, Briddon PR. Effect of Oxidation on the Doping of Silicon Nanocrystals with Group III and Group V Elements. Journal of Physical Chemistry C 2012, 116(14), 8243-8250.
Coutinho J, Markevich VP, Peaker AR, Hamilton B, Lastovskii SB, Murin LI, Svensson BJ, Rayson MJ, Briddon PR. Electronic and dynamical properties of the silicon trivacancy. Physical Review B 2012, 86(17), 174101.
Tiwari AK, Goss JP, Briddon PR, Wright NG, Horsfall AB, Rayson MJ. Electronic and structural properties of diamond (001) surfaces terminated by selected transition metals. Physical Review B 2012, 86(15), 155301.
Carvalho A, Oberg S, Rayson MJ, Briddon PR. Electronic properties, doping, and defects in chlorinated silicon nanocrystals. Physical Review B 2012, 86(4), 045308.
Pinto H, Jones R, Palmer DW, Goss JP, Tiwari AK, Briddon PR, Wright NG, Horsfall AB, Rayson MJ, Oberg S. First-principles studies of the effect of (001) surface terminations on the electronic properties of the negatively charged nitrogen-vacancy defect in diamond. Physical Review B 2012, 86(4), 045313.
Markevich A, Jones R, Oberg S, Rayson MJ, Goss JP, Briddon PR. First-principles study of hydrogen and fluorine intercalation into graphene-SiC(0001) interface. Physical Review B 2012, 86(4), 045453.
Carvalho A, Santos P, Coutinho J, Jones R, Rayson MJ, Briddon PR. Light induced degradation in B doped Cz-Si solar cells. physica status solidi (a) 2012, 209(10), 1894-1897.
Hedlund J, Grahn M, Korelskiy D, Rayson M, Oberg S, Briddon PR. Mass transport in porous media from first principles: An experimental and theoretical study. Journal of Membrane Science 2012, 415-416, 271-277.
Markevich VP, Peaker AR, Hamilton B, Lastovskii SB, Murin LI, Coutinho J, Markevich AV, Rayson MJ, Briddon PR, Svensson BG. Reconfigurations and diffusion of trivacancy in silicon. In: 26th International Conference on Defects in Semiconductors (ICDS). 2012, Nelson, New Zealand: Elsevier BV.
Tiwari AK, Goss JP, Briddon PR, Wright NG, Horsfall AB, Jones R, Pinto H, Rayson MJ. Thermodynamic stability and electronic properties of F- and Cl-terminated diamond. Physica Status Solidi A 2012, 209(9), 1709-1714.
Briddon PR, Rayson MJ. Accurate Kohn-Sham DFT with the speed of tight binding: Current techniques and future directions in materials modelling. Physica Status Solidi B: Basic Soid State Research 2011, 248(6), 1309-1318.
Tiwari AK, Goss JP, Briddon PR, Wright NG, Horsfall AB, Jones R, Pinto H, Rayson MJ. Calculated electron affinity and stability of halogen-terminated diamond. Physical Review B 2011, 84(24), 245305.
Carvalho A, Coutinho J, Barroso M, Silva EL, Oberg S, Rayson M, Briddon PR. Electronic structure modification of Si nanocrystals with F-4-TCNQ. Physical Review B 2011, 84(12), 125437.
Ivanovskaya VV, Zobelli A, Wagner P, Heggie MI, Briddon PR, Rayson MJ, Ewels CP. Low-Energy Termination of Graphene Edges via the Formation of Narrow Nanotubes. Physical Review Letters 2011, 107(6), 065502.
Markevich VP, Peaker AR, Hamilton B, Litvinov VV, Pokotilo YM, Lastovskii SB, Coutinho J, Carvalho A, Rayson MJ, Briddon PR. Tin-vacancy complex in germanium. Journal of Applied Physics 2011, 109(8), 083705.
Rayson MJ, Briddon PR. Highly efficient method for Kohn-Sham density functional calculations of 500-10 000 atom systems. Physical Review B 2009, 80(20), 205104.
Rayson M, Briddon P. Highly efficient method for Kohn-Sham density functional calculations of 500-10000 atom systems. Physical Review B: Condensed Matter and Materials Physics 2009, 80(20), 205104.
Rayson MJ, Briddon PR. First principles method for the calculation of zero-field splitting tensors in periodic systems. Physical Review B 2008, 77(3), 035119.
Rayson MJ, Briddon PR. Rapid iterative method for electronic-structure eigenproblems using localised basis functions. Computer Physics Communications 2008, 178(2), 128-134.
Goss JP, Rayson MJ, Briddon PR, Baker JM. Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond. Physical Review B 2007, 76(4), 045203.
Shaw MJ, Briddon PR, Goss JP, Rayson MJ, Kerridge A, Harker AH, Stoneham AM. Erratum: Importance of Quantum Tunneling in Vacancy-Hydrogen Complexes in Diamond. Physical Review Letters 2005, 95(21), 219901.
Shaw MJ, Briddon PR, Goss JP, Rayson MJ, Kerridge A, Harker AH, Stoneham AM. Importance of quantum tunneling in vacancy-hydrogen complexes in diamond. Physical Review Letters 2005, 95(10), 105502.
Goss JP, Briddon PR, Rayson MJ, Sque SJ, Jones R. Vacancy-impurity complexes and limitations for implantation doping of diamond. Physical Review B 2005, 72(3), -.
Goss JP, Briddon PR, Rayson MJ, Sque SJ, Jones R. Vacancy-impurity complexes and limitations for implantation doping of diamond. Physical Review B - Condensed Matter and Materials Physics 2005, 72(3), 1-11.
Rayson MJ, Goss JP, Briddon PR. First principles calculation of zero-field splitting tensors. In: Physica B: Condensed Matter. 2003, Aarhus, Denmark: Elsevier BV.
Goss JP, Jones R, Shaw TD, Rayson MJ, Briddon PR. First Principles Study of the Self-Interstitial Defect in Diamond. Physica Status Solidi (A) 2001, 186(2), 215-220.
Goss JP, Coomer BJ, Jones R, Shaw TD, Briddon PR, Rayson MJ. Self-interstitial aggregation in diamond. Physical Review B 2001, 63(19), 195208.