First-principles study of defects and phase transition in UO2

Weber, William J.; Devanathan, Ram; Yu, Jianguo

doi:10.1088/0953-8984/21/43/435401

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First-principles study of defects and phase transition in UO2

Author(s): Jianguo Yu , Ram Devanathan , William J Weber

Publication date (Electronic): October 05 2009

Journal: Journal of Physics: Condensed Matter

Publisher: IOP Publishing

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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G Kresse, J. Furthmüller (1996)

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Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study

S. L. Dudarev, G. A. Botton, S Y Savrasov … (1998)

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Neutron diffraction study of U\({\mathrm{O}}_{2}\): Antiferromagnetic state

G. H. Lander, J. Faber (1976)

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Author and article information

Journal

Title: Journal of Physics: Condensed Matter

Abbreviated Title: J. Phys.: Condens. Matter

Publisher: IOP Publishing

ISSN (Print): 0953-8984

ISSN (Electronic): 1361-648X

Publication date Created: October 28 2009

Publication date (Print): October 28 2009

Publication date (Electronic): October 05 2009

Volume: 21

Issue: 43

Page: 435401

Article

DOI: 10.1088/0953-8984/21/43/435401

PubMed ID: 21832435

SO-VID: add11a08-97e1-48ba-b326-6a5ffbc7d7be

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First-principles study of defects and phase transition in UO2

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The FAIR data principles

Most cited references 23

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study

Neutron diffraction study of U\({\mathrm{O}}_{2}\): Antiferromagnetic state

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