Structural, thermodynamic, electronic and elastic properties of Th1−xUxO2 and Th1−xPuxO2 mixed oxides-Reference-Cited by-同舟云学术

Structural, thermodynamic, electronic and elastic properties of Th1−xUxO2 and Th1−xPuxO2 mixed oxides

Published:2020 Issue:11 Volume:22 Page:6406-6417
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ghosh P. S.¹²³⁴^ORCID,Arya A.¹²³⁴

Affiliation:

1. Glass & Advanced Materials Division

2. Bhabha Atomic Research Centre

3. Mumbai 400 085

4. India

Abstract

The structural, thermodynamic, electronic, and elastic properties of Th_1−xU_xO₂ and Th_1−xPu_xO₂ mixed oxides (MOX) have been calculated with Hubbard corrected density functional theory (DFT+U) to account for the strong 5f electron correlations.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP00220H

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