Band-Gap Energy and Electronic d-d Transitions of NiWO4 Studied under High-Pressure Conditions
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| dc.contributor.author | Errandonea, Daniel
|
es_ES |
| dc.contributor.author | Rodriguéz, Fernando
|
es_ES |
| dc.contributor.author | Vilaplana Cerda, Rosario Isabel
|
es_ES |
| dc.contributor.author | Vie Giner, David
|
es_ES |
| dc.contributor.author | Garg, Siddhi
|
es_ES |
| dc.contributor.author | Nayak, Bishnupriya
|
es_ES |
| dc.contributor.author | Garg, Nandini
|
es_ES |
| dc.contributor.author | Singh, Jaspreet
|
es_ES |
| dc.contributor.author | Kanchana, Venkatakrishnan
|
es_ES |
| dc.contributor.author | Vaitheeswaran, Ganapathy
|
es_ES |
| dc.date.accessioned | 2024-11-20T19:10:04Z | |
| dc.date.available | 2024-11-20T19:10:04Z | |
| dc.date.issued | 2023-07-26 | es_ES |
| dc.identifier.issn | 1932-7447 | es_ES |
| dc.identifier.uri | http://hdl.handle.net/10251/212065 | |
| dc.description.abstract | [EN] We report an extensivestudy of the optical and structural propertiesof NiWO4 combining experiments and density functional theorycalculations. We have obtained accurate information on the pressureeffect on the crystal structure determining the equation of stateand compressibility tensor. We have also determined the pressure dependenceof the band gap finding that it decreases under compression becauseof the contribution of Ni 3d states to the top ofthe valence band. We report on the sub-band-gap optical spectrum ofNiWO(4) showing that the five bands observed at 0.95, 1.48,1.70, 2.40, and 2.70 eV correspond to crystal-field transitions withinthe 3d (8) (t (2g) (6) e (g) (2)) configurationof Ni2+. Their assignment, which remained controversialuntil now, has been resolved mainly by their pressure shifts. In additionto the transition energies, their pressure derivatives are differentin each band, allowing a clear band assignment. To conclude, we reportresistivity and Hall-effect measurements showing that NiWO4 is a p-type semiconductor with a resistivity thatdecreases as pressure increases. | es_ES |
| dc.description.sponsorship | D.E. acknowledges the financial support from the Generalitat Valenciana under grant nos. PROMETEO CIPROM/2021/075-GREENMAT and MFA/2022/007 and Spanish Ministerio de Ciencia e Innovacion and Agencia Estatal de Investigacion (MCIN/AEI/10.13039/501100011033) and the European Union under grant nos. PID2019-106383GB-41/42 and RED2018-102612-T (MALTA Consolider-Team network). This study forms part of the Advanced Materials program and is supported by MCIN with funding from European Union Next Generation EU (PRTR-C17.I1) and by the Generalitat Valenciana. F.R. acknowledges financial support from Projects PID2021-127656NB-I00 and MALTA-Consolider Team (RED2018-102612-T) from the State Research Agency of Spain, Ministry of Science and Innovation. The authors J.S. and V.K. would like to acknowledge IIT Hyderabad for computational facility. V.K. would like to acknowledge DST-FIST (SR/FST/PSI-215/2016) for the financial support. J.S. would like to acknowledge CSIR for the fellowship. G.V. would like to acknowledge Institute of Eminence, University of Hyderabad (UoH-IoE-RC3-21-046) for funding and CMSD University of Hyderabad for providing the computational facility. We thank Dr. Velaga Srihari and Smt. Vasanthi for helping with the data acquisition at BL11 beamline at INDUS2. | es_ES |
| dc.language | Inglés | es_ES |
| dc.publisher | American Chemical Society | es_ES |
| dc.relation.ispartof | The Journal of Physical Chemistry C | es_ES |
| dc.rights | Reconocimiento (by) | es_ES |
| dc.subject | Band -gap energy | es_ES |
| dc.subject | High pressure | es_ES |
| dc.subject.classification | FISICA APLICADA | es_ES |
| dc.title | Band-Gap Energy and Electronic d-d Transitions of NiWO4 Studied under High-Pressure Conditions | es_ES |
| dc.type | Artículo | es_ES |
| dc.identifier.doi | 10.1021/acs.jpcc.3c03512 | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106383GB-C41/ES/OXIDOS Y METALES BAJO CONDICIONES EXTREMAS: SINTESIS Y CARACTERIZACION DE MATERIALES EN VOLUMEN Y NANOCRISTALES CON APLICACIONES TECNOLOGICAS/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106383GB-C42/ES/SESQUIOXIDOS Y COMPUESTOS METAVALENTES BAJO CONDICIONES EXTREMAS/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-127656NB-I00/ES/FOTOLUMINISCENCIA AMPLIFICADA POR PLASMONES SUPERFICALES EN NANOMATERIALES DOPADOS CON LANTANIDOS SINTONIZADA MEDIANTE ALTA PRESION/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/DST//SR%2FFST%2FPSI-215%2F2016/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/GVA//CIPROM%2F2021%2F075/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/GVA//MFA%2F2022%2F007/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//RED2018-102612-T//MALTA Consolider Team/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/MICINN//PRTR-C17.I1/ | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/UoH//UoH-IoE-RC3-21-046/ | es_ES |
| dc.rights.accessRights | Abierto | es_ES |
| dc.contributor.affiliation | Universitat Politècnica de València. Escuela Politécnica Superior de Alcoy - Escola Politècnica Superior d'Alcoi | es_ES |
| dc.description.bibliographicCitation | Errandonea, D.; Rodriguéz, F.; Vilaplana Cerda, RI.; Vie Giner, D.; Garg, S.; Nayak, B.; Garg, N.... (2023). Band-Gap Energy and Electronic d-d Transitions of NiWO4 Studied under High-Pressure Conditions. The Journal of Physical Chemistry C. 127:15630-15640. https://doi.org/10.1021/acs.jpcc.3c03512 | es_ES |
| dc.description.accrualMethod | S | es_ES |
| dc.relation.publisherversion | https://doi.org/10.1021/acs.jpcc.3c03512 | es_ES |
| dc.description.upvformatpinicio | 15630 | es_ES |
| dc.description.upvformatpfin | 15640 | es_ES |
| dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
| dc.description.volume | 127 | es_ES |
| dc.identifier.pmid | 37588813 | es_ES |
| dc.identifier.pmcid | PMC10426340 | es_ES |
| dc.relation.pasarela | S\506849 | es_ES |
| dc.contributor.funder | Generalitat Valenciana | es_ES |
| dc.contributor.funder | University of Hyderabad | es_ES |
| dc.contributor.funder | Agencia Estatal de Investigación | es_ES |
| dc.contributor.funder | Ministerio de Ciencia e Innovación | es_ES |
| dc.contributor.funder | Ministerio de Economía y Competitividad | es_ES |
| dc.contributor.funder | Department of Science and Technology, Ministry of Science and Technology, India | es_ES |
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