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Magnetic structure of UO
2
and NpO
2
by first-principle methods
James T. Pegg
*
, Ashley E. Shields
, Mark T. Storr
, Andrew S. Wills
,
David O. Scanlon
, Nora H. De Leeuw
*
Corresponding author for this work
Chemistry
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2
and NpO
2
by first-principle methods'. Together they form a unique fingerprint.
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Keyphrases
Actinide Ions
33%
Actinide Oxides
33%
ANO2
33%
Antiferromagnetic
33%
Band Structure Calculations
33%
Computational Methods
33%
Crystal Symmetry
33%
Energy Release
33%
First-principles Method
100%
Low Temperature
33%
Magnetic States
66%
Magnetic Structure
100%
NpO2
100%
Radioactive Decay
33%
Thermal Energy
33%
Chemistry
Actinoid Atom
50%
Antiferromagnetic
25%
Band Structure Calculations
25%
Crystal System
25%
First Principle
100%
Fmmm
25%
Ground State
100%
Magnetic Structure
100%
R3-M
25%
Uranium Dioxide
100%
Material Science
Actinide
66%
Crystal Symmetry
33%
Magnetic Structure
100%
Uranium Dioxide
100%