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Computing the self-consistent field in Kohn-Sham density functional theory

Journal of physics. Condensed matter, 2019-11, Vol.31 (45), p.453001-453001

2019

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First-principles simulation: ideas, illustrations and the CASTEP code

Journal of physics. Condensed matter, 2002-03, Vol.14 (11), p.2717-2744

2002

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Correlation between spin transport signal and Heusler/semiconductor interface quality in lateral spin-valve devices

Physical review. B, 2018-09, Vol.98 (11), p.115304, Article 115304

2018

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Prediction of phonon-mediated superconductivity in new Ti-based M[Formula: see text]AX phases

Scientific reports, 2022-08, Vol.12 (1), p.13198-13198

2022

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Correlations between atomic structure and giant magnetoresistance ratio in Co2(Fe,Mn)Si spin valves

Journal of physics. D, Applied physics, 2014-12, Vol.47 (32)

2014

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Effective modelling of the Seebeck coefficient of Fe2VAl

Journal of physics. Condensed matter, 2020-03, Vol.32 (12), p.125401-125401

2020

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Ab initio studies of disorder in the full Heusler alloy Co2FexMn1−xSi

Journal of applied physics, 2013-05, Vol.113 (17)

2013

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Huge power factor in p-type half-Heusler alloys NbFeSb and TaFeSb

JPhys materials, 2019-07, Vol.2 (3), p.35002

2019

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Exchange coupling and magnetic anisotropy at Fe/FePt interfaces

Physical review. B, Condensed matter and materials physics, 2013-11, Vol.88 (17), Article 174409

2013

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

Journal of physics. Condensed matter, 2015-08, Vol.27 (30), p.305301-305301

2015

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Electron–phonon interaction and superconductivity in hexagonal ternary carbides Nb 2 AC (A: Al, S, Ge, As and Sn)

Electronic Structure, 2021-12, Vol.3 (4), p.45001

2021

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Electronic energy minimisation with ultrasoft pseudopotentials

Computer physics communications, 2006, Vol.174 (1), p.24-29

2006

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Correlations between atomic structure and giant magnetoresistance ratio in Co 2 (Fe,Mn)Si spin valves

Journal of physics. D, Applied physics, 2014-08, Vol.47 (32), p.322003

2014

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A fast, stable method for density functional simulations of nanostructures

Journal of physics. Conference series, 2011-03, Vol.286 (1), p.012034-2

Hasnip, P J

2011

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Experimental and density functional study of Mn doped Bi2Te3 topological insulator

APL materials, 2016-12, Vol.4 (12), p.126103-126103-8

2016

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The effect of film and interface structure on the transport properties of Heusler based current-perpendicular-to-plane spin valves

Applied physics letters, 2011-06, Vol.98 (24)

2011

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Prediction of phonon-mediated superconductivity in new Ti-based M$$_2$$AX phases

Scientific reports, 2022-12, Vol.12 (1), Article 13198

2022

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Cr$$_2$$AlN and the search for the highest temperature superconductor in the M$$_2$$AX family

Scientific reports, 2023-12, Vol.13 (1), Article 6576

2023

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Effective modelling of the Seebeck coefficient of Fe 2 VAl

Journal of physics. Condensed matter, 2020-03, Vol.32 (12), p.125401

2020

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Cr\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2AlN and the search for the highest temperature superconductor in the M\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \

Scientific reports, 2023-04, Vol.13

2023

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Cr[Formula: see text]AlN and the search for the highest temperature superconductor in the M[Formula: see text]AX family

Scientific reports, 2023-04, Vol.13 (1), p.6576-6576

2023

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Cr $$_2$$ 2 AlN and the search for the highest temperature superconductor in the M $$_2$$ 2 AX family

Scientific reports, 2023-04, Vol.13 (1), p.1-13

2023

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Cr2AlN and the search for the highest temperature superconductor in the M2AX family

Scientific reports, 2023-01, Vol.13 (1), p.6576

2023

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Prediction of phonon-mediated superconductivity in new Ti-based M\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2AX phases

Scientific reports, 2022-08, Vol.12

2022

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Prediction of phonon-mediated superconductivity in new Ti-based M $$_2$$ 2 AX phases

Scientific reports, 2022-08, Vol.12 (1), p.1-10

2022

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Computing the self-consistent field in Kohn-Sham density functional theory

First-principles simulation: ideas, illustrations and the CASTEP code

Correlation between spin transport signal and Heusler/semiconductor interface quality in lateral spin-valve devices

Prediction of phonon-mediated superconductivity in new Ti-based M[Formula: see text]AX phases

Correlations between atomic structure and giant magnetoresistance ratio in Co2(Fe,Mn)Si spin valves

Effective modelling of the Seebeck coefficient of Fe2VAl

Ab initio studies of disorder in the full Heusler alloy Co2FexMn1−xSi

Huge power factor in p-type half-Heusler alloys NbFeSb and TaFeSb

Exchange coupling and magnetic anisotropy at Fe/FePt interfaces

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

Electron–phonon interaction and superconductivity in hexagonal ternary carbides Nb 2 AC (A: Al, S, Ge, As and Sn)

Electronic energy minimisation with ultrasoft pseudopotentials

Correlations between atomic structure and giant magnetoresistance ratio in Co 2 (Fe,Mn)Si spin valves

A fast, stable method for density functional simulations of nanostructures

Experimental and density functional study of Mn doped Bi2Te3 topological insulator

The effect of film and interface structure on the transport properties of Heusler based current-perpendicular-to-plane spin valves

Prediction of phonon-mediated superconductivity in new Ti-based M$$_2$$AX phases

Cr$$_2$$AlN and the search for the highest temperature superconductor in the M$$_2$$AX family

Effective modelling of the Seebeck coefficient of Fe 2 VAl

Cr[Formula: see text]AlN and the search for the highest temperature superconductor in the M[Formula: see text]AX family

Cr $$_2$$ 2 AlN and the search for the highest temperature superconductor in the M $$_2$$ 2 AX family

Cr2AlN and the search for the highest temperature superconductor in the M2AX family

Prediction of phonon-mediated superconductivity in new Ti-based M $$_2$$ 2 AX phases

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