Jump to main content
Jump to site search

Issue 2, 2019

Magnetic structure of UO2 and NpO2 by first-principle methods

Author affiliations

Abstract

The magnetic structure of the actinide dioxides (AnO2) remains a field of intense research. A low-temperature experimental investigation of the magnetic ground-state is complicated by thermal energy released from the radioactive decay of the actinide nuclei. To establish the magnetic ground-state, we have employed high-accuracy computational methods to systematically probe different magnetic structures. A transverse 1k antiferromagnetic ground-state with Fmmm (No. 69) crystal symmetry has been established for UO2, whereas a ferromagnetic (111) ground-state with R[3 with combining macron]m (No. 166) has been established for NpO2. Band structure calculations have been performed to analyse these results.

Graphical abstract: Magnetic structure of UO2 and NpO2 by first-principle methods

Supplementary files

Article information


Submitted
06 Jun 2018
Accepted
08 Dec 2018
First published
10 Dec 2018

This article is Open Access

Phys. Chem. Chem. Phys., 2019,21, 760-771
Article type
Paper

Magnetic structure of UO2 and NpO2 by first-principle methods

J. T. Pegg, A. E. Shields, M. T. Storr, A. S. Wills, D. O. Scanlon and N. H. de Leeuw, Phys. Chem. Chem. Phys., 2019, 21, 760 DOI: 10.1039/C8CP03581D

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

Read more about how to correctly acknowledge RSC content.


Social activity

Search articles by author

Spotlight

Advertisements