Items where Author is "Castleton, CWM"

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Number of items: 33.

Journal article

KULLGREN, J., WOLF, M.J., CASTLETON, C.W.M., MITEV, P., BRIELS, W.J. and HERMANSSON, K., 2014. Oxygen vacancies versus fluorine at CeO2(111): a case of mistaken identity? Physical Review Letters, 112 (15), p. 156102. ISSN 0031-9007

CASTLETON, C.W.M., LEE, A.L., KULLGREN, J. and HERMANSSON, K., 2014. Description of polarons in ceria using Density Functional Theory. Journal of Physics: Conference Series, 526 (1), 012002. ISSN 1742-6596

LU, Z., YANG, Z., HERMANSSON, K. and CASTLETON, C.W.M., 2014. Several different charge transfer and Ce3+ localization scenarios for Rh–CeO2(111). Journal of Materials Chemistry A, 2 (7), pp. 2333-2345. ISSN 2050-7488

CASTLETON, C.W.M., HÖGLUND, A., GÖTHELID, M., QIAN, M.C. and MIRBT, S., 2013. Hydrogen on III-V (110) surfaces: charge accumulation and STM signatures. Physical Review B, 88 (4). ISSN 1098-0121

CASTLETON, C.W.M., KULLGREN, J. and HERMANSSON, K., 2012. Many competing ceria (110) oxygen vacancy structures: from small to large supercells. Journal of Chemical Physics, 137 (4). ISSN 0021-9606

LU, Z., YANG, Z., HE, B., CASTLETON, C.W.M. and HERMANSSON, K., 2011. Cu-doped ceria: Oxygen vacancy formation made easy. Chemical Physics Letters, 510 (13), pp. 60-66. ISSN 0009-2614

KULLGREN, J., CASTLETON, C.W.M., MULLER, C., RAMO, D.M. and HERMANSSON, K., 2010. B3LYP calculations of cerium oxides RID C-3994-2009. Journal of Chemical Physics, 132 (5). ISSN 0021-9606

HÖGLUND, A., CASTLETON, C.W.M., ERIKSSON, O. and MIRBT, S., 2010. Controlling dopant solubility in semiconductor alloys. Journal of Physics - Conference Series, 242 (1), p. 12014. ISSN 0953-8984

CASTLETON, C.W.M., HÖGLUND, A. and MIRBT, S., 2009. Density functional theory calculations of defect energies using supercells. Modelling and Simulation in Materials Science and Engineering, 17 (8), 084003. ISSN 0965-0393

HÖGLUND, A., MIRBT, S., CASTLETON, C.W.M. and GÖTHELID, M., 2008. Breakdown of cation vacancies into anion vacancy-antisite complexes on III-V semiconductor surfaces. Physical Review B, 78 (15), p. 155318. ISSN 1098-0121

HÖGLUND, A., ERIKSSON, O., CASTLETON, C.W.M. and MIRBT, S., 2008. Increasing the equilibrium solubility of dopants in semiconductor multilayers and alloys. Physical Review Letters, 100 (10), p. 105501. ISSN 0031-9007

HÖGLUND, A., CASTLETON, C.W.M. and MIRBT, S., 2008. Diffusion mechanism of Zn in InP and GaP from first principles. Physical Review B, 77 (11), p. 113201. ISSN 1098-0121

CASTLETON, C.W.M., NOKBIN, S. and HERMANSSON, K., 2008. Charge transfer and adhesion in Rh/MgO(001). Journal of Physics: Conference Series, 100 (8). ISSN 1742-6588

CASTLETON, C.W.M., NOKBIN, S. and HERMANSSON, K., 2007. Correlations between magnetic properties and bond formation in Rh–MgO(001). Surface Science, 601 (5), pp. 1218-1230. ISSN 0039-6028

CASTLETON, C.W.M., KULLGREN, J. and HERMANSSON, K., 2007. Tuning LDA+U for electron localization and structure at oxygen vacancies in ceria. Journal of Chemical Physics, 127 (24), p. 244704. ISSN 0021-9606

HÖGLUND, A., CASTLETON, C.W.M., GÖTHELID, M., JOHANSSON, B. and MIRBT, S., 2006. Point defects on the (110) surfaces of InP, InAs and InSb: a comparison with bulk. Physical Review B, 74 (7), 075332. ISSN 1098-0121

CASTLETON, C.W.M., HÖGLUND, A. and MIRBT, S., 2006. Managing the supercell approximation for charged defects in semiconductors: finite size scaling, charge correction factors, the bandgap problem and the ab initio dielectric constant. Physical Review B, 73 (3), 035215. ISSN 1098-0121

HÖGLUND, A., CASTLETON, C.W.M. and MIRBT, S., 2005. Relative concentration and structure of native defects in GaP. Physical Review B, 72 (19), p. 195213. ISSN 1098-0121

WILKINS, S.B., STOJIC, N., BEALE, T.A.W., BINGGELI, N., CASTLETON, C.W.M., BENCOK, P., PRABHAKARAN, D., BOOTHROYD, A.T., HATTON, P.D. and ALTARELLI, M., 2005. Resonant soft X-ray scattering investigation of orbital and magnetic ordering in La0.5Si1.5MnO4. Physical Review B, 71 (19), p. 245102. ISSN 1098-0121

CASTLETON, C.W.M. and MIRBT, S., 2004. Finite-size scaling as a cure for supercell approximation errors in calculations of neutral native defects in InP. Physical Review B, 70 (19), p. 195202. ISSN 1098-0121

CASTLETON, C.W.M. and MIRBT, S., 2003. Ab initio study of neutral vacancies in InP using supercells and finite size scaling. Physica B: Condensed Matter, 340, pp. 407-411. ISSN 0921-4526

CASTLETON, C.W.M. and MIRBT, S., 2003. Structure of the [ZnIn-VP] defect complex in Zn-doped InP. Physical Review B, 68 (8), 085203. ISSN 1098-0121

CASTLETON, C.W.M. and BARFORD, W., 2002. Screening and the quantitative π-model description of the optical spectra and polarizations of phenyl based oligomers. Journal of Chemical Physics, 117 (8), pp. 3570-3582. ISSN 0021-9606

CASTLETON, C.W.M. and ALTARELLI, M., 2000. Orbital ordering in the manganites: resonant x-ray scattering predictions at the manganese LII and LIII edges. Physical Review B, 62 (2), pp. 1033-1038. ISSN 1098-0121

CASTLETON, C.W.M. and BARFORD, W., 1999. Optimal parameterisation of the pariser-parr-pople model for benzene, Bi-phenyl and trans-stilbene. Synthetic Metals, 101 (13), pp. 520-521. ISSN 0379-6779

BURSILL, R.J., CASTLETON, C.W.M. and BARFORD, W., 1998. Optimal parameterisation of the Pariser-Parr-Pople model for benzene and biphenyl. Chemical Physics Letters, 294 (45), pp. 305-313. ISSN 0009-2614

CASTLETON, C.W.M. and LONG, M.W., 1997. Single and many particle correlation functions and uniform phase bases for strongly correlated systems. Journal of Physics: Condensed Matter, 9 (36), pp. 7563-7582. ISSN 0953-8984

CASTLETON, C.W.M. and LONG, M.W., 1994. Spin-charge separation in the one dimensional Hubbard model with longer range hopping. Physica C: Superconductivity, 235240 (4), pp. 2209-2210. ISSN 0921-4534

LONG, M.W., CASTLETON, C.W.M. and HAYWARD, C.A., 1994. Analytic correlation functions for the one-dimensional Hubbard model with short-range hopping in the strong-coupling limit. Journal of Physics: Condensed Matter, 6 (33), pp. 6581-6598. ISSN 0953-8984

LONG, M.W., CASTLETON, C.W.M. and HAYWARD, C.A., 1994. Nagaoka ferromagnetism versus long-range hopping in the one-dimensional Hubbard model. Journal of Physics: Condensed Matter, 6 (14), pp. 2757-2772. ISSN 0953-8984

LONG, M.W., CASTLETON, C.W.M. and HAYWARD, C.A., 1994. Ring exchange and the Heisenberg and Hubbard models. Journal of Physics: Condensed Matter, 6 (44), pp. 9359-9382. ISSN 0953-8984

LONG, M.W., CASTLETON, C.W.M. and HAYWARD, C.A., 1994. The one dimensional Hubbard model with first, second and third nearest neighbour hopping in the strong coupling limit. Journal of Physics: Condensed Matter, 6 (2), pp. 481-493. ISSN 0953-8984

Conference contribution

CASTLETON, C.W.M. and MIRBT, S., 2002. Structure of the [ZnIn-VP] defect complex in Zn-doped InP. In: 26th International Conference on the Physics of Semiconductors, Edinburgh, 29 July - 2 August 2002.

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