Support for the UKCP Consortium

Research output

Research output per year 2014 2014 2015 2016 2017

• 8 Article

Research output per year

Research output per year

Search results

• 2017

  Atomistic dynamics of sulfur-deficient high-symmetry grain boundaries in molybdenum disulfide

  Hong, J., Wang, Y., Wang, A., Lv, D., Jin, C., Xu, Z., Probert, M. I. J., Yuan, J. & Zhang, Z., 7 Aug 2017, In: Nanoscale. 9, 29, p. 10312-10320 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
• 2016

  Erratum: Improved real-space genetic algorithm for crystal structure and polymorph prediction [Phys. Rev. B 77, 134117 (2008)]

  Abraham, N. L. & Probert, M. I. J., 22 Aug 2016, In: Physical Review B. 84, p. 1 1 p., 059904.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

• Experimental and density functional study of Mn doped Bi2Te3 topological insulator

  Ghasemi, A., Kepaptsoglou, D., Figueroa, A. I., Naydenov, G. A., Hasnip, P. J., Probert, M. I. J., Ramasse, Q., van der Laan, G., Hesjedal, T. & Lazarov, V., 1 Dec 2016, In: Materials. 4, 12, p. 126103 1 p., 1.4971354 .

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

• Reproducibility in density functional theory calculations of solids

  Probert, M. I. J., Hasnip, P. J., Lejaeghere, K., Bihlmayer, G., Bjorkman, T., Blaha, P., Blum, V., Caliste, D., Castelli, I. E., Dal Corso, A., de Gironcoli, S., Deutsch, T., Clark, S. J., Dewhurst, J. K., Di Marco, I., Draxl, C., Du ak, M., Eriksson, O., Flores-Livas, J. A. & Garrity, K. F. & 50 others, Genovese, L., Giannozzi, P., Giantomassi, M., Giantomassi, M., Goedecker, S., Gonze, X., Granas, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Holzwarth, N. A. W., Iusan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Kucukbenli, E., Kvshnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordstrom, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G.-M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunstrom, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., van Setten, M. J., Van Speybroeck, V., M. Wills, J., Yates, J. R., Zhang, G.-X. & Cottenier, S., 25 Mar 2016, In: Science. 351, 6280, 7 p., aad3000.

  Research output: Contribution to journal › Article › peer-review

  Open Access
• 2015

  Exploring atomic defects in molybdenum disulphide monolayers

  Hong, J., Hu, Z., Probert, M. I. J., Li, K., Lv, D., Yang, X., Gu, L., Mao, N., Feng, Q., Xie, L., Zhang, J., Wu, D., Zhang, Z., Jin, C., Ji, W., Zhang, X., Yuan, J. & Zhang, Z., 19 Feb 2015, In: Nature Communications. 6, 8 p., 6293.

  Research output: Contribution to journal › Article › peer-review

• Theoretical study of core-loss electron energy-loss spectroscopy at graphene nanoribbon edges

  Fujita, N., Hasnip, P. J., Probert, M. I. J. & Yuan, J., 14 Jul 2015, In: Journal of physics : Condensed matter. 27, 20 p., 305301.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
• 2014

  Density functional theory in the solid state

  Hasnip, P. J., Refson, K., Probert, M. I. J., Yates, J. R., Clark, S. J. & Pickard, C. J., 13 Mar 2014, In: Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences. 372, 2011, 26 p., 20130270.

  Research output: Contribution to journal › Article › peer-review

• The effect of cobalt-sublattice disorder on spin polarisation in CoFeMnSi heusler alloys

  Hasnip, P. J., Loach, C. H., Smith, J. H., Probert, M. I. J., Gilks, D., Sizeland, J., Lari, L., Sagar, J., Yoshida, K., Oogane, M., Hirohata, A. & Lazarov, V. K., 2014, In: Materials. 7, 3, p. 1473-1482 10 p.

  Research output: Contribution to journal › Article › peer-review