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Items where Author is "Rayson, M"

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Article

Ewels, CP, Rocquefelte, X, Kroto, HW, Rayson, MJ, Briddon, PR and Heggie, MI (2015) Predicting experimentally stable allotropes: Instability of penta-graphene PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 112 (51). pp. 15609-15618.

Trevethan, T, Latham, CD, Heggie, MI, Rayson, MJ and Briddon, PR (2014) Interlayer vacancy diffusion and coalescence in graphite Physical Review B, 90 (17), 174108.

Santos, P, Coutinho, J, Torres, VJB, Rayson, MJ and Briddon, PR (2014) Hydrogen passivation of titanium impurities in silicon: Effect of doping conditions APPLIED PHYSICS LETTERS, 105 (3), ARTN 03210.

Pereira, RN, Coutinho, J, Niesar, S, Oliveira, TA, Aigner, W, Wiggers, H, Rayson, MJ, Briddon, PR, Brandt, MS and Stutzmann, M (2014) Resonant Electronic Coupling Enabled by Small Molecules in Nanocrystal Solids NANO LETTERS, 14 (7). pp. 3817-3826.

Goss, JP, Briddon, PR, Hill, V, Jones, R and Rayson, MJ (2014) Identification of the structure of the 3107 cm(-1) H-related defect in diamond JOURNAL OF PHYSICS-CONDENSED MATTER, 26 (14), ARTN 14580.

Trevethan, T, Latham, C, Heggie, MI, Briddon, PR and Rayson, MJ (2014) Vacancy diffusion and coalescence in graphene directed by defect strain fields Nanoscale, 6 (5). pp. 2978-2986.

Markevich, VP, Peaker, AR, Hamilton, B, Lastovskii, SB, Murin, LI, Coutinho, J, Rayson, MJ, Briddon, PR and Svensson, BG (2014) The trivacancy and trivacancy-oxygen family of defects in silicon Solid State Phenomena, 205-20. pp. 181-190.

Atumi, MK, Goss, JP, Briddon, PR and Rayson, MJ (2013) Atomistic modeling of the polarization of nitrogen centers in diamond due to growth surface orientation PHYSICAL REVIEW B, 88 (24), ARTN 24530.

Carvalho, A, Öberg, S, Barroso, M, Rayson, MJ and Briddon, P (2013) Boron doped Si nanoparticles: The effect of oxidation Physica Status Solidi (B) Basic Research, 250 (9). pp. 1799-1803.

Trevethan, T, Dyulgerova, P, Latham, CD, Heggie, MI, Seabourne, CR, Scott, AJ, Briddon, PR and Rayson, MJ (2013) Extended interplanar linking in graphite formed from vacancy aggregates Physical Review Letters, 111 (9), 095501.

Al-Hamadany, R, Goss, JP, Briddon, PR, Mojarad, SA, O'Neill, AG and Rayson, MJ (2013) Impact of tensile strain on the oxygen vacancy migration in SrTiO 3: Density functional theory calculations Journal of Applied Physics, 113 (22).

Wagner, P, Ivanovskaya, VV, Rayson, MJ, Briddon, PR and Ewels, CP (2013) Mechanical properties of nanosheets and nanotubes investigated using a new geometry independent volume definition. J Phys Condens Matter, 25 (15).

Tiwari, AK, Goss, JP, Briddon, PR, Wright, NG, Horsfall, AB and Rayson, MJ (2013) Transition metal oxide-diamond interfaces for electron emission applications Materials Science Forum, 740-74. pp. 761-764.

Atumi, MK, Goss, JP, Briddon, PR, Shrif, FE and Rayson, MJ (2013) Hyperfine interactions at nitrogen interstitial defects in diamond. J Phys Condens Matter, 25 (6).

Carvalho, A, Oberg, S, Rayson, MJ and Briddon, PR (2013) Electronic and optical properties of chlorinated silicon nanoparticles. J Nanosci Nanotechnol, 13 (2). pp. 1039-1042.

Carvalho, A, Oberg, S, Rayson, MJ and Briddon, PR (2013) Increased electronic coupling in silicon nanocrystal networks doped with F4-TCNQ. J Nanosci Nanotechnol, 13 (2). pp. 1035-1038.

Al-Hamadany, R, Goss, JP, Briddon, PR, Mojarad, SA, Al-Hadidi, M, O'Neill, AG and Rayson, MJ (2013) Oxygen vacancy migration in compressively strained SrTiO3 Journal of Applied Physics, 113 (2).

Rydén, J, Öberg, S, Heggie, M, Rayson, M and Briddon, P (2013) Hydrogen storage in the manganese containing metal-organic framework MOF-73 Microporous and Mesoporous Materials, 165. pp. 205-209.

Tiwari, AK, Goss, JP, Briddon, PR, Wright, NG, Horsfall, AB and Rayson, MJ (2013) Ultra thin transition metal oxide coatings on diamond for thermionic applications Materials Research Society Symposium Proceedings, 1511. pp. 13-18.

Carvalho, A, Rayson, MJ, Briddon, PR and Manzhos, S (2013) Effect of the adsorption of ethylene carbonate on Si surfaces on the Li insertion behavior Chemical Physics Letters.

Camps, I, Coutinho, J, Mir, M, Cunha, AFD, Rayson, MJ and Briddon, PR (2012) Elastic and optical properties of Cu 2SZnSn(Se xS 1S x) 4S alloys: Density functional calculations Semiconductor Science and Technology, 27 (11).

Coutinho, J, Markevich, VP, Peaker, AR, Hamilton, B, Lastovskii, SB, Murin, LI, Svensson, BJ, Rayson, MJ and Briddon, PR (2012) Electronic and dynamical properties of the silicon trivacancy Physical Review B - Condensed Matter and Materials Physics, 86 (17).

Santos, P, Coutinho, J, Rayson, MJ and Briddon, PR (2012) Electrical activity of multivacancy defects in silicon Physica Status Solidi (C) Current Topics in Solid State Physics, 9 (10-11). pp. 2000-2004.

Tiwari, AK, Goss, JP, Briddon, PR, Wright, NG, Horsfall, AB and Rayson, MJ (2012) Electronic and structural properties of diamond (001) surfaces terminated by selected transition metals Physical Review B - Condensed Matter and Materials Physics, 86 (15).

Carvalho, A, Santos, P, Coutinho, J, Jones, R, Rayson, MJ and Briddon, PR (2012) Light induced degradation in B doped Cz-Si solar cells Physica Status Solidi (A) Applications and Materials Science, 209 (10). pp. 1894-1897.

Tiwari, AK, Goss, JP, Briddon, PR, Wright, NG, Horsfall, AB and Rayson, MJ (2012) Bromine functionalisation of diamond: An ab initio study Physica Status Solidi (A) Applications and Materials Science, 209 (9). pp. 1703-1708.

Tiwari, AK, Goss, JP, Briddon, PR, Wright, NG, Horsfall, AB and Rayson, MJ (2012) Effect of different surface coverages of transition metals on the electronic and structural properties of diamond Physica Status Solidi (A) Applications and Materials Science, 209 (9). pp. 1697-1702.

Tiwari, AK, Goss, JP, Briddon, PR, Wright, NG, Horsfall, AB, Jones, R, Pinto, H and Rayson, MJ (2012) Thermodynamic stability and electronic properties of F- and Cl-terminated diamond Physica Status Solidi (A) Applications and Materials Science, 209 (9). pp. 1709-1714.

Markevich, VP, Peaker, AR, Hamilton, B, Lastovskii, SB, Murin, LI, Coutinho, J, Markevich, AV, Rayson, MJ, Briddon, PR and Svensson, BG (2012) Reconfigurations and diffusion of trivacancy in silicon Physica B: Condensed Matter, 407 (15). pp. 2974-2977.

Markevich, A, Jones, R, Öberg, S, Rayson, MJ, Goss, JP and Briddon, PR (2012) First-principles study of hydrogen and fluorine intercalation into graphene-SiC(0001) interface Physical Review B - Condensed Matter and Materials Physics, 86 (4).

Pinto, H, Jones, R, Palmer, DW, Goss, JP, Tiwari, AK, Briddon, PR, Wright, NG, Horsfall, AB, Rayson, MJ and Aberg, S (2012) 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 - Condensed Matter and Materials Physics, 86 (4).

Carvalho, A, Oberg, S, Barroso, M, Rayson, MJ and Briddon, PR (2012) Doping of Si nanoparticles: the effect of oxidation Phys. Rev. B, 89.

Carvalho, A, Rayson, MJ and Briddon, PR (2012) Effect of oxidation on the doping of silicon nanocrystals with group III and group v elements Journal of Physical Chemistry C, 116 (14). pp. 8243-8250.

Tiwari, AK, Goss, JP, Briddon, PR, Wright, NG, Horsfall, AB, Jones, R, Pinto, H and Rayson, MJ (2011) Calculated electron affinity and stability of halogen-terminated diamond Physical Review B - Condensed Matter and Materials Physics, 84 (24).

Carvalho, A, Öberg, S, Rayson, MJ and Briddon, PR (2011) Electronic properties, doping and defects in chlorinated silicon nanocrystals Phys. Rev. B, 86.

Ivanovskaya, VV, Zobelli, A, Wagner, P, Heggie, MI, Briddon, PR, Rayson, MJ and Ewels, CP (2011) Low energy graphene edge termination via small diameter nanotube formation Physical Review Letters, 107 (6).

Briddon, PR and Rayson, MJ (2011) Accurate Kohn-Sham DFT With the Speed of Tight Binding: Current Techniques and Future Directions in Materials Modelling pp. 285-303.

Markevich, VP, Peaker, AR, Hamilton, B, Litvinov, VV, Pokotilo, YM, Lastovskii, SB, Coutinho, J, Carvalho, A, Rayson, MJ and Briddon, PR (2011) Tin-vacancy complex in germanium Journal of Applied Physics, 109 (8).

Markevich, VP, Peaker, AR, Hamilton, B, Litvinov, VV, Pokotilo, YM, Petukh, AN, Lastovskii, SB, Coutinho, J, Rayson, MJ and Briddon, PR (2011) Radiation-induced defect reactions in tin-doped Ge crystals Solid State Phenomena, 178-17. pp. 392-397.

Rayson, MJ (2010) Rapid filtration algorithm to construct a minimal basis on the fly from a primitive Gaussian basis. Computer Physics Communications, 181, 6. pp. 1051-1056.

Rayson, MJ and Briddon, PR (2009) Highly efficient method for Kohn-Sham density functional calculations of 500-10000 atom systems Physical Review B - Condensed Matter and Materials Physics, 80 (20).

Rayson, MJ and Briddon, PR (2008) First principles method for the calculation of zero-field splitting tensors in periodic systems Physical Review B - Condensed Matter and Materials Physics, 77 (3).

Rayson, MJ and Briddon, PR (2008) Rapid iterative method for electronic-structure eigenproblems using localised basis functions. Computer Physics Communications, 178, 2. pp. 128-134.

Rayson, MJ (2007) Lagrange-Lobatto interpolating polynomials in the discrete variable representation. Phys Rev E Stat Nonlin Soft Matter Phys, 76 (2 Pt 2).

Goss, JP, Rayson, MJ, Briddon, PR and Baker, JM (2007) Metastable Frenkel pairs and the W11-W14 electron paramagnetic resonance centers in diamond Physical Review B - Condensed Matter and Materials Physics, 76 (4).

Rayson, MJ (2006) Low complexity method for large-scale self-consistent ab initio electronic-structure calculations without localization

Goss, JP, Briddon, PR, Rayson, MJ, Sque, SJ and Jones, R (2006) Erratum: Vacancy-impurity complexes and limitations for implantation doping of diamond (Physical Review B - Condensed Matter and Materials Physics (2005) 72 (035214)) Physical Review B - Condensed Matter and Materials Physics, 73 (19).

Montgomery, H, Clarkson, P, Barnard, M, Bell, J, Brynes, A, Dollery, C, Hajnal, J, Hemingway, H, Mercer, D, Jarman, P, Marshall, R, Prasad, K, Rayson, M, Saeed, N, Talmud, P, Thomas, L, Jubb, M, World, M and Humphries, S (1999) Angiotensin-converting-enzyme gene insertion/deletion polymorphism and response to physical training LANCET, 353 (9152). pp. 541-545.

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