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Dynamically stabilized growth of polar oxides: the case of MgO(111).
Lazarov VK, Cai Z, Yoshida K, Zhang KH, Weinert M, Ziemer KS, Hasnip PJ. Lazarov VK, et al. Among authors: hasnip pj. Phys Rev Lett. 2011 Jul 29;107(5):056101. doi: 10.1103/PhysRevLett.107.056101. Epub 2011 Jul 28. Phys Rev Lett. 2011. PMID: 21867079
Effective modelling of the Seebeck coefficient of Fe2VAl.
Naydenov GA, Hasnip PJ, Lazarov VK, Probert MIJ. Naydenov GA, et al. Among authors: hasnip pj. J Phys Condens Matter. 2020 Mar 20;32(12):125401. doi: 10.1088/1361-648X/ab5867. Epub 2019 Nov 18. J Phys Condens Matter. 2020. PMID: 31739289 Free article.
Density functional theory in the solid state.
Hasnip PJ, Refson K, Probert MI, Yates JR, Clark SJ, Pickard CJ. Hasnip PJ, et al. Philos Trans A Math Phys Eng Sci. 2014 Feb 10;372(2011):20130270. doi: 10.1098/rsta.2013.0270. Print 2014 Mar 13. Philos Trans A Math Phys Eng Sci. 2014. PMID: 24516184 Free PMC article.
Reproducibility in density functional theory calculations of solids.
Lejaeghere K, Bihlmayer G, Björkman T, Blaha P, Blügel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Dułak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Grånäs O, Gross EK, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NA, Iuşan D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Küçükbenli E, Kvashnin YO, Locht IL, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordström L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MI, Refson K, Richter M, Rignanese GM, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunström P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang GX, Cottenier S. Lejaeghere K, et al. Among authors: hasnip pj. Science. 2016 Mar 25;351(6280):aad3000. doi: 10.1126/science.aad3000. Science. 2016. PMID: 27013736 Free article.
13 results