Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure

Optical absorption measurements at high pressure have been performed in two phases of the orderedvacancy compound (OVC) ZnGa2Se4: defect stannite (DS) and defect chalcopyrite (DC). The direct bandgap energy of both phases exhibits a non-linear pressure dependence with a blueshift up to 10 GPa and a...

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Autores: Gómis, Óscar, Vilaplana, Rosario Isabel, Pérez-González, Eduardo, Ruiz Fuertes, Javier|||0000-0003-3175-7754, Rodríguez-Hernández, Plácida, Muñoz, Alfonso, Errandonea, Daniel, Segura, Alfredo, Santamaría-Pérez, David, Alonso-Gutiérrez, Pablo, Sanjuán, María Luisa, Tiginyanu, Ion, Ursaki, Veacheslav Vladimir, Manjón, Francisco Javier
Tipo de recurso: artículo
Fecha de publicación:2023
País:España
Institución:Universidad de Cantabria (UC)
Repositorio:UCrea Repositorio Abierto de la Universidad de Cantabria
Idioma:inglés
OAI Identifier:oai:repositorio.unican.es:10902/31516
Acceso en línea:https://hdl.handle.net/10902/31516
Access Level:acceso abierto
Palabra clave:Semiconductors
Optical properties
Computer simulations
High-pressure
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spelling Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressureGómis, ÓscarVilaplana, Rosario IsabelPérez-González, EduardoRuiz Fuertes, Javier|||0000-0003-3175-7754Rodríguez-Hernández, PlácidaMuñoz, AlfonsoErrandonea, DanielSegura, AlfredoSantamaría-Pérez, DavidAlonso-Gutiérrez, PabloSanjuán, María LuisaTiginyanu, IonUrsaki, Veacheslav VladimirManjón, Francisco JavierSemiconductorsOptical propertiesComputer simulationsHigh-pressureOptical absorption measurements at high pressure have been performed in two phases of the orderedvacancy compound (OVC) ZnGa2Se4: defect stannite (DS) and defect chalcopyrite (DC). The direct bandgap energy of both phases exhibits a non-linear pressure dependence with a blueshift up to 10 GPa and a redshift at higher pressures. We discuss the different behavior of both phases in these two pressure ranges in relation to the pressure-induced order-disorder processes taking place at cation sites. Measurements performed in both phases on downstroke after increasing pressure to 22 GPa show that the direct bandgap energy of the recovered samples at room pressure was 0.35 eV smaller than that of the original samples. These results evidence that different disordered phases are formed on decreasing pressure, depending on the cation disorder already present in the original samples. In particular, we attribute the recovered samples from the original DC and DS phases to disordered CuAu (DCA) and disordered zincblende (DZ) phases, respectively. The decrease of the direct bandgap energy and its pressure coefficient on increasing disorder in the four measured phases are explained. In summary, this combined experimental and theoretical work on two phases (DC and DS) of the same compound has allowed us to show that the optical properties of both phases show a similar behavior under compression because irreversible pressure-induced order-disorder processes occur in all adamantine OVCs irrespective of the initial crystalline structure.This study was supported by project MALTA Consolider Team network (RED2018-102612‐T), financed by MINECO/AEI/10.13039/501100003329, I+D+i project PID2019–106383 GB‐41/42/43 financed by MCIN/AEI/10.13039/501100011033 and project PID2021–125518NB-I00; as well as projects PROMETEO/2018/123 (EFIMAT) and CIPROM/2021/075 (GREENMAT) financed by Generalitat Valenciana. This study forms part of the Advanced Materials programme and was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and by Generalitat Valenciana under grant MFA/2022/007.Elsevier LtdUniversidad de Cantabria20232023-01-01journal articlehttp://purl.org/coar/resource_type/c_6501NAhttp://purl.org/coar/version/c_be7fb7dd8ff6fe43info:eu-repo/semantics/articlehttps://hdl.handle.net/10902/31516Journal of Alloys and Compounds, 2023, 939, 168733reponame:UCrea Repositorio Abierto de la Universidad de Cantabriainstname:Universidad de Cantabria (UC)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2Attribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:repositorio.unican.es:10902/315162026-06-02T12:39:31Z
dc.title.none.fl_str_mv Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure
title Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure
spellingShingle Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure
Gómis, Óscar
Semiconductors
Optical properties
Computer simulations
High-pressure
title_short Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure
title_full Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure
title_fullStr Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure
title_full_unstemmed Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure
title_sort Optical absorption of defect chalcopyrite and defect stannite ZnGa2Se4 under high pressure
dc.creator.none.fl_str_mv Gómis, Óscar
Vilaplana, Rosario Isabel
Pérez-González, Eduardo
Ruiz Fuertes, Javier|||0000-0003-3175-7754
Rodríguez-Hernández, Plácida
Muñoz, Alfonso
Errandonea, Daniel
Segura, Alfredo
Santamaría-Pérez, David
Alonso-Gutiérrez, Pablo
Sanjuán, María Luisa
Tiginyanu, Ion
Ursaki, Veacheslav Vladimir
Manjón, Francisco Javier
author Gómis, Óscar
author_facet Gómis, Óscar
Vilaplana, Rosario Isabel
Pérez-González, Eduardo
Ruiz Fuertes, Javier|||0000-0003-3175-7754
Rodríguez-Hernández, Plácida
Muñoz, Alfonso
Errandonea, Daniel
Segura, Alfredo
Santamaría-Pérez, David
Alonso-Gutiérrez, Pablo
Sanjuán, María Luisa
Tiginyanu, Ion
Ursaki, Veacheslav Vladimir
Manjón, Francisco Javier
author_role author
author2 Vilaplana, Rosario Isabel
Pérez-González, Eduardo
Ruiz Fuertes, Javier|||0000-0003-3175-7754
Rodríguez-Hernández, Plácida
Muñoz, Alfonso
Errandonea, Daniel
Segura, Alfredo
Santamaría-Pérez, David
Alonso-Gutiérrez, Pablo
Sanjuán, María Luisa
Tiginyanu, Ion
Ursaki, Veacheslav Vladimir
Manjón, Francisco Javier
author2_role author
author
author
author
author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidad de Cantabria
dc.subject.none.fl_str_mv Semiconductors
Optical properties
Computer simulations
High-pressure
topic Semiconductors
Optical properties
Computer simulations
High-pressure
description Optical absorption measurements at high pressure have been performed in two phases of the orderedvacancy compound (OVC) ZnGa2Se4: defect stannite (DS) and defect chalcopyrite (DC). The direct bandgap energy of both phases exhibits a non-linear pressure dependence with a blueshift up to 10 GPa and a redshift at higher pressures. We discuss the different behavior of both phases in these two pressure ranges in relation to the pressure-induced order-disorder processes taking place at cation sites. Measurements performed in both phases on downstroke after increasing pressure to 22 GPa show that the direct bandgap energy of the recovered samples at room pressure was 0.35 eV smaller than that of the original samples. These results evidence that different disordered phases are formed on decreasing pressure, depending on the cation disorder already present in the original samples. In particular, we attribute the recovered samples from the original DC and DS phases to disordered CuAu (DCA) and disordered zincblende (DZ) phases, respectively. The decrease of the direct bandgap energy and its pressure coefficient on increasing disorder in the four measured phases are explained. In summary, this combined experimental and theoretical work on two phases (DC and DS) of the same compound has allowed us to show that the optical properties of both phases show a similar behavior under compression because irreversible pressure-induced order-disorder processes occur in all adamantine OVCs irrespective of the initial crystalline structure.
publishDate 2023
dc.date.none.fl_str_mv 2023
2023-01-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
NA
http://purl.org/coar/version/c_be7fb7dd8ff6fe43
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/10902/31516
url https://hdl.handle.net/10902/31516
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Attribution-NonCommercial-NoDerivatives 4.0 International
http://creativecommons.org/licenses/by-nc-nd/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
Attribution-NonCommercial-NoDerivatives 4.0 International
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier Ltd
publisher.none.fl_str_mv Elsevier Ltd
dc.source.none.fl_str_mv Journal of Alloys and Compounds, 2023, 939, 168733
reponame:UCrea Repositorio Abierto de la Universidad de Cantabria
instname:Universidad de Cantabria (UC)
instname_str Universidad de Cantabria (UC)
reponame_str UCrea Repositorio Abierto de la Universidad de Cantabria
collection UCrea Repositorio Abierto de la Universidad de Cantabria
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869404376053841920
score 15,301603

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