Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study

Shilpa Singh; Yogesh Sonvane; K. A. Nekrasov; A. S. Boyarchenkov; A. Ya Kupryazhkin; P. N. Gajjar; Sanjeev K. Gupta

doi:10.1016/j.solidstatesciences.2022.106968

Systematic investigation of electronic, mechanical and optical properties of UO₂ at higher pressure: A DFT+U+SOC study

Shilpa Singh, Yogesh Sonvane, K. A. Nekrasov, A. S. Boyarchenkov, A. Ya Kupryazhkin, P. N. Gajjar, Sanjeev K. Gupta

科研成果: Article › 同行评审

源语言	English
文章编号	106968
期刊	Solid State Sciences
卷	132
DOI	https://doi.org/10.1016/j.solidstatesciences.2022.106968
州	Published - 10月 2022

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

WoS ResearchAreas Categories

Chemistry, Multidisciplinary
Physics, Multidisciplinary

访问文件

10.1016/j.solidstatesciences.2022.106968

其它文件与链接

Радиационная физика оптических материалов и метаматериалов для атомной энергетики и ядерной медицины
Пустоваров, В. А.
01/01/2020 → 31/12/2022
项目: Award Project

引用此

@article{86e082465b224012b8d036af01a5b1c2,

title = "Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study",

keywords = "Crystal structure, Density of states, Elastic constants, Phase transition",

author = "Shilpa Singh and Yogesh Sonvane and Nekrasov, {K. A.} and Boyarchenkov, {A. S.} and Kupryazhkin, {A. Ya} and Gajjar, {P. N.} and Gupta, {Sanjeev K.}",

note = "Publisher Copyright: {\textcopyright} 2022 Elsevier Masson SAS",

year = "2022",

month = oct,

doi = "10.1016/j.solidstatesciences.2022.106968",

language = "English",

volume = "132",

journal = "Solid State Sciences",

issn = "1293-2558",

publisher = "Elsevier BV",

}

TY - JOUR

T1 - Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study

AU - Singh, Shilpa

AU - Sonvane, Yogesh

AU - Nekrasov, K. A.

AU - Boyarchenkov, A. S.

AU - Kupryazhkin, A. Ya

AU - Gajjar, P. N.

AU - Gupta, Sanjeev K.

PY - 2022/10

Y1 - 2022/10

KW - Crystal structure

KW - Density of states

KW - Elastic constants

KW - Phase transition

UR - http://www.scopus.com/inward/record.url?scp=85134834835&partnerID=8YFLogxK

UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=000838160400005

U2 - 10.1016/j.solidstatesciences.2022.106968

DO - 10.1016/j.solidstatesciences.2022.106968

M3 - Article

AN - SCOPUS:85134834835

VL - 132

JO - Solid State Sciences

JF - Solid State Sciences

SN - 1293-2558

M1 - 106968

ER -

Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study

ASJC Scopus subject areas

WoS ResearchAreas Categories

访问文件

其它文件与链接

指纹

项目

Радиационная физика оптических материалов и метаматериалов для атомной энергетики и ядерной медицины

引用此

Systematic investigation of electronic, mechanical and optical properties of UO₂ at higher pressure: A DFT+U+SOC study