4.6 Article

Influence of charge states on energies of point defects and clusters in uranium dioxide

Related references

Note: Only part of the references are listed.
Article Materials Science, Multidisciplinary

First-principles study of noble gas impurities and defects in UO2

Alexander E. Thompson et al.

PHYSICAL REVIEW B (2011)

Article Materials Science, Multidisciplinary

Understanding and correcting the spurious interactions in charged supercells

Samuel E. Taylor et al.

PHYSICAL REVIEW B (2011)

Article Materials Science, Multidisciplinary

U and Xe transport in UO2±x: Density functional theory calculations

D. A. Andersson et al.

PHYSICAL REVIEW B (2011)

Article Materials Science, Multidisciplinary

Charge states of point defects in uranium oxide calculated with a local hybrid functional for correlated electrons

Jean-Paul Crocombette et al.

PHYSICAL REVIEW B (2011)

Article Materials Science, Multidisciplinary

First-principles calculation and experimental study of oxygen diffusion in uranium dioxide

Boris Dorado et al.

PHYSICAL REVIEW B (2011)

Article Chemistry, Physical

Density functional theory calculations on magnetic properties of actinide compounds

Denis Gryaznov et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Materials Science, Multidisciplinary

Method for locating low-energy solutions within DFT plus U

B. Meredig et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Energetics of intrinsic point defects in uranium dioxide from electronic-structure calculations

Pankaj Nerikar et al.

JOURNAL OF NUCLEAR MATERIALS (2009)

Article Materials Science, Multidisciplinary

Cooperativity among defect sites in AO2+x and A4O9 (A=U,Np,Pu): Density functional calculations

D. A. Andersson et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

DFT plus U calculations of the ground state and metastable states of uranium dioxide

Boris Dorado et al.

PHYSICAL REVIEW B (2009)

Article Physics, Applied

Ab initio investigation on oxygen defect clusters in UO2+x

Hua Y. Geng et al.

APPLIED PHYSICS LETTERS (2008)

Article Materials Science, Multidisciplinary

Point defects and clustering in uranium dioxide by LSDA+U calculations

Hua Y. Geng et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

γ and β cerium:: LDA+U calculations of ground-state parameters

B. Amadon et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Study of Ba and Zr stability in UO2±x by density functional calculations

G. Brillant et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Stability mechanism of cuboctahedral clusters in UO2+x:: First-principles calculations

Hua Y. Geng et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Point defects in uranium dioxide: Ab initio pseudopotential approach in the generalized gradient approximation

M Freyss et al.

JOURNAL OF NUCLEAR MATERIALS (2005)

Article Materials Science, Multidisciplinary

Plane-wave pseudopotential study of point defects in uranium dioxide

JP Crocombette et al.

PHYSICAL REVIEW B (2001)

Article Computer Science, Interdisciplinary Applications

A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I:: atompaw for generating atom-centered functions

NAW Holzwarth et al.

COMPUTER PHYSICS COMMUNICATIONS (2001)

Article Materials Science, Multidisciplinary

First-order phase transition in UO2:: 235U and 17O NMR study -: art. no. 104404

K Ikushima et al.

PHYSICAL REVIEW B (2001)