LiCrO2 under pressure

The high-pressure behaviour of LiCrO, a compound isostructural to the battery compound LiCoO, has been investigated by synchrotron-based angle-dispersive X-ray powder diffraction, Raman spectroscopy, and resistance measurements up to 41, 30, and 10 Gpa, respectively. The stability of the layered str...

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Authors: Garg, Alka B.|||0000-0003-4050-8469, Errandonea, Daniel|||0000-0003-0189-4221, Pellicer Porres, Julio|||0000-0002-4288-900X, Martínez García, Domingo, Kesari, Swayam, Rao, Rekha|||0000-0002-1848-6171, Popescu, Catalin|||0000-0001-6613-4739, Bettinelli, Marco|||0000-0002-1271-4241
Format: article
Publication Date:2019
Country:España
Institution:Universitat Autònoma de Barcelona
Repository:Dipòsit Digital de Documents de la UAB
Language:English
OAI Identifier:oai:ddd.uab.cat:202520
Online Access:https://ddd.uab.cat/record/202520
https://dx.doi.org/urn:doi:10.3390/cryst9010002
Access Level:Open access
Keyword:High-pressure
X-ray diffraction
Raman spectroscopy
Equation of state
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spelling LiCrO2 under pressureIn-situ structural and vibrational studiesGarg, Alka B.|||0000-0003-4050-8469Errandonea, Daniel|||0000-0003-0189-4221Pellicer Porres, Julio|||0000-0002-4288-900XMartínez García, DomingoKesari, SwayamRao, Rekha|||0000-0002-1848-6171Popescu, Catalin|||0000-0001-6613-4739Bettinelli, Marco|||0000-0002-1271-4241High-pressureX-ray diffractionRaman spectroscopyEquation of stateThe high-pressure behaviour of LiCrO, a compound isostructural to the battery compound LiCoO, has been investigated by synchrotron-based angle-dispersive X-ray powder diffraction, Raman spectroscopy, and resistance measurements up to 41, 30, and 10 Gpa, respectively. The stability of the layered structured compound on a triangular lattice with R-3m space group is confirmed in all three measurements up to the highest pressure reached. The dependence of lattice parameters and unit-cell volume with pressure has been determined from the structural refinements of X-ray diffraction patterns that are used to extract the axial compressibilities and bulk modulus by means of Birch-Murnaghan equation-of-state fits. The pressure coefficients for the two Raman-active modes, A and E, and their mode-Grüneisen parameters are reported. The electrical resistance measurements indicate that pressure has little influence in the resistivity up to 10 GPa. The obtained results for the vibrational and structural properties of LiCrO under pressure are in line with the published results of the similar studies on the related compounds. Research work reported in this article contributes significantly to enhance the understanding on the structural and mechanical properties of LiCrO and related lithium compounds. 22019-01-0120192019-01-01Articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://ddd.uab.cat/record/202520https://dx.doi.org/urn:doi:10.3390/cryst9010002reponame:Dipòsit Digital de Documents de la UABinstname:Universitat Autònoma de BarcelonaInglésengMinisterio de Economía y Competitividad https://doi.org/10.13039/501100003329 MAT2016-75586-C4-1-Popen accesshttp://purl.org/coar/access_right/c_abf2Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original.https://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/openAccessoai:ddd.uab.cat:2025202026-06-06T12:50:31Z
dc.title.none.fl_str_mv LiCrO2 under pressure
In-situ structural and vibrational studies
title LiCrO2 under pressure
spellingShingle LiCrO2 under pressure
Garg, Alka B.|||0000-0003-4050-8469
High-pressure
X-ray diffraction
Raman spectroscopy
Equation of state
title_short LiCrO2 under pressure
title_full LiCrO2 under pressure
title_fullStr LiCrO2 under pressure
title_full_unstemmed LiCrO2 under pressure
title_sort LiCrO2 under pressure
dc.creator.none.fl_str_mv Garg, Alka B.|||0000-0003-4050-8469
Errandonea, Daniel|||0000-0003-0189-4221
Pellicer Porres, Julio|||0000-0002-4288-900X
Martínez García, Domingo
Kesari, Swayam
Rao, Rekha|||0000-0002-1848-6171
Popescu, Catalin|||0000-0001-6613-4739
Bettinelli, Marco|||0000-0002-1271-4241
author Garg, Alka B.|||0000-0003-4050-8469
author_facet Garg, Alka B.|||0000-0003-4050-8469
Errandonea, Daniel|||0000-0003-0189-4221
Pellicer Porres, Julio|||0000-0002-4288-900X
Martínez García, Domingo
Kesari, Swayam
Rao, Rekha|||0000-0002-1848-6171
Popescu, Catalin|||0000-0001-6613-4739
Bettinelli, Marco|||0000-0002-1271-4241
author_role author
author2 Errandonea, Daniel|||0000-0003-0189-4221
Pellicer Porres, Julio|||0000-0002-4288-900X
Martínez García, Domingo
Kesari, Swayam
Rao, Rekha|||0000-0002-1848-6171
Popescu, Catalin|||0000-0001-6613-4739
Bettinelli, Marco|||0000-0002-1271-4241
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv High-pressure
X-ray diffraction
Raman spectroscopy
Equation of state
topic High-pressure
X-ray diffraction
Raman spectroscopy
Equation of state
description The high-pressure behaviour of LiCrO, a compound isostructural to the battery compound LiCoO, has been investigated by synchrotron-based angle-dispersive X-ray powder diffraction, Raman spectroscopy, and resistance measurements up to 41, 30, and 10 Gpa, respectively. The stability of the layered structured compound on a triangular lattice with R-3m space group is confirmed in all three measurements up to the highest pressure reached. The dependence of lattice parameters and unit-cell volume with pressure has been determined from the structural refinements of X-ray diffraction patterns that are used to extract the axial compressibilities and bulk modulus by means of Birch-Murnaghan equation-of-state fits. The pressure coefficients for the two Raman-active modes, A and E, and their mode-Grüneisen parameters are reported. The electrical resistance measurements indicate that pressure has little influence in the resistivity up to 10 GPa. The obtained results for the vibrational and structural properties of LiCrO under pressure are in line with the published results of the similar studies on the related compounds. Research work reported in this article contributes significantly to enhance the understanding on the structural and mechanical properties of LiCrO and related lithium compounds.
publishDate 2019
dc.date.none.fl_str_mv 2
2019-01-01
2019
2019-01-01
dc.type.none.fl_str_mv Article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://ddd.uab.cat/record/202520
https://dx.doi.org/urn:doi:10.3390/cryst9010002
url https://ddd.uab.cat/record/202520
https://dx.doi.org/urn:doi:10.3390/cryst9010002
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 MAT2016-75586-C4-1-P
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
https://creativecommons.org/licenses/by/4.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
https://creativecommons.org/licenses/by/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:Dipòsit Digital de Documents de la UAB
instname:Universitat Autònoma de Barcelona
instname_str Universitat Autònoma de Barcelona
reponame_str Dipòsit Digital de Documents de la UAB
collection Dipòsit Digital de Documents de la UAB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,301603

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