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Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study. / Singh, Shilpa; Sonvane, Yogesh; Nekrasov, K. A. et al.
In: Solid State Sciences, Vol. 132, 106968, 10.2022.

Research output: Contribution to journal › Article › peer-review

Harvard

Singh, S, Sonvane, Y, Nekrasov, KA, Boyarchenkov, AS, Kupryazhkin, AY, Gajjar, PN & Gupta, SK 2022, 'Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study', Solid State Sciences, vol. 132, 106968. https://doi.org/10.1016/j.solidstatesciences.2022.106968

APA

Singh, S., Sonvane, Y., Nekrasov, K. A., Boyarchenkov, A. S., Kupryazhkin, A. Y., Gajjar, P. N., & Gupta, S. K. (2022). Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study. Solid State Sciences, 132, [106968]. https://doi.org/10.1016/j.solidstatesciences.2022.106968

Vancouver

Singh S, Sonvane Y, Nekrasov KA, Boyarchenkov AS, Kupryazhkin AY, Gajjar PN et al. Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study. Solid State Sciences. 2022 Oct;132:106968. doi: 10.1016/j.solidstatesciences.2022.106968

Author

Singh, Shilpa ; Sonvane, Yogesh ; Nekrasov, K. A. et al. / Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: A DFT+U+SOC study. In: Solid State Sciences. 2022 ; Vol. 132.

BibTeX

@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",

}

RIS

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.

N1 - Publisher Copyright: © 2022 Elsevier Masson SAS

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 -

ID: 30716821