A comparative study on modeling of the ferromagnetic and paramagnetic states of uranium hydride using a DFT+U method-Reference-Cited by-同舟云学术

A comparative study on modeling of the ferromagnetic and paramagnetic states of uranium hydride using a DFT+U method

Published:2019 Issue:32 Volume:21 Page:17628-17639
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Jun KyuJung¹²³⁴⁵^ORCID,Lee Jae-Uk⁶⁷⁴,Chang Min Ho⁶⁷⁴,Oda Takuji¹²³⁴^ORCID

Affiliation:

1. Department of Nuclear Engineering

2. Seoul National University

3. Seoul 08826

4. Republic of Korea

5. Department of Materials Science and Engineering

6. National Fusion Research Institute

7. Daejeon

Abstract

We present a comprehensive DFT study on modeling of ferromagnetic and paramagnetic states of uranium hydride, which can facilitate the design of multiscale modeling of uranium hydride.

Funder

Seoul National University

National Fusion Research Institute

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03188J

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