Metastable Polymorphic Phases in Monolayer TaTe2

Polymorphic phases and collective phenomena-such as charge density waves (CDWs)-in transition metal dichalcogenides (TMDs) dictate the physical and electronic properties of the material. Most TMDs naturally occur in a single given phase, but the fine-tuning of growth conditions via methods such as m...

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Autores: Bernardo, Iolanda Di, Ripoll Sau, Joan, Silva-Guillén, Jose Ángel, Calleja, Fabián, Ayani, Cosme G., Miranda, Rodolfo, Canadell, Enric, Garnica, Manuela, Vázquez de Parga, Amadeo L.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/331425
Acceso en línea:http://hdl.handle.net/10261/331425
https://api.elsevier.com/content/abstract/scopus_id/85151689450
Access Level:acceso abierto
Palabra clave:TaTe2
Density functional theory
Molecular beam epitaxy (MBE)
Scanning tunneling microscopy
Transition metal dichalcogenides (TMDs)
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dc.title.none.fl_str_mv Metastable Polymorphic Phases in Monolayer TaTe2
title Metastable Polymorphic Phases in Monolayer TaTe2
spellingShingle Metastable Polymorphic Phases in Monolayer TaTe2
Bernardo, Iolanda Di
TaTe2
Density functional theory
Molecular beam epitaxy (MBE)
Scanning tunneling microscopy
Transition metal dichalcogenides (TMDs)
title_short Metastable Polymorphic Phases in Monolayer TaTe2
title_full Metastable Polymorphic Phases in Monolayer TaTe2
title_fullStr Metastable Polymorphic Phases in Monolayer TaTe2
title_full_unstemmed Metastable Polymorphic Phases in Monolayer TaTe2
title_sort Metastable Polymorphic Phases in Monolayer TaTe2
dc.creator.none.fl_str_mv Bernardo, Iolanda Di
Ripoll Sau, Joan
Silva-Guillén, Jose Ángel
Calleja, Fabián
Ayani, Cosme G.
Miranda, Rodolfo
Canadell, Enric
Garnica, Manuela
Vázquez de Parga, Amadeo L.
author Bernardo, Iolanda Di
author_facet Bernardo, Iolanda Di
Ripoll Sau, Joan
Silva-Guillén, Jose Ángel
Calleja, Fabián
Ayani, Cosme G.
Miranda, Rodolfo
Canadell, Enric
Garnica, Manuela
Vázquez de Parga, Amadeo L.
author_role author
author2 Ripoll Sau, Joan
Silva-Guillén, Jose Ángel
Calleja, Fabián
Ayani, Cosme G.
Miranda, Rodolfo
Canadell, Enric
Garnica, Manuela
Vázquez de Parga, Amadeo L.
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia, Innovación y Universidades (España)
Ministerio de Ciencia e Innovación (España)
Comunidad de Madrid
Agencia Estatal de Investigación (España)
ARC Centre of Excellence in Future Low-Energy Electronics Technologies
Generalitat de Catalunya
Bernardo, Iolanda Di [0000-0002-2364-5544]
Silva-Guillén, Jose Ángel [0000-0002-0483-5334]
Calleja, Fabián [0000-0001-6007-8641]
Miranda, Rodolfo [0000-0002-1064-6724]
Canadell, Enric [0000-0002-4663-5226]
Garnica, Manuela [0000-0002-7861-9490]
Vázquez de Parga, Amadeo L. [0000-0003-0551-1603]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv TaTe2
Density functional theory
Molecular beam epitaxy (MBE)
Scanning tunneling microscopy
Transition metal dichalcogenides (TMDs)
topic TaTe2
Density functional theory
Molecular beam epitaxy (MBE)
Scanning tunneling microscopy
Transition metal dichalcogenides (TMDs)
description Polymorphic phases and collective phenomena-such as charge density waves (CDWs)-in transition metal dichalcogenides (TMDs) dictate the physical and electronic properties of the material. Most TMDs naturally occur in a single given phase, but the fine-tuning of growth conditions via methods such as molecular beam epitaxy (MBE) allows to unlock otherwise inaccessible polymorphic structures. Exploring and understanding the morphological and electronic properties of new phases of TMDs is an essential step to enable their exploitation in technological applications. Here, scanning tunneling microscopy (STM) is used to map MBE-grown monolayer (ML) TaTe2 . This work reports the first observation of the 1H polymorphic phase, coexisting with the 1T, and demonstrates that their relative coverage can be controlled by adjusting synthesis parameters. Several superperiodic structures, compatible with CDWs, are observed to coexist on the 1T phase. Finally, this work provides theoretical insight on the delicate balance between Te…Te and Ta-Ta interactions that dictates the stability of the different phases. The findings demonstrate that TaTe2 is an ideal platform to investigate competing interactions, and indicate that accurate tuning of growth conditions is key to accessing metastable states in TMDs.
publishDate 2023
dc.date.none.fl_str_mv 2023
2023
2023
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dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/331425
https://api.elsevier.com/content/abstract/scopus_id/85151689450
url http://hdl.handle.net/10261/331425
https://api.elsevier.com/content/abstract/scopus_id/85151689450
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Small (Weinheim an der Bergstrasse, Germany)
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spelling Metastable Polymorphic Phases in Monolayer TaTe2Bernardo, Iolanda DiRipoll Sau, JoanSilva-Guillén, Jose ÁngelCalleja, FabiánAyani, Cosme G.Miranda, RodolfoCanadell, EnricGarnica, ManuelaVázquez de Parga, Amadeo L.TaTe2Density functional theoryMolecular beam epitaxy (MBE)Scanning tunneling microscopyTransition metal dichalcogenides (TMDs)Polymorphic phases and collective phenomena-such as charge density waves (CDWs)-in transition metal dichalcogenides (TMDs) dictate the physical and electronic properties of the material. Most TMDs naturally occur in a single given phase, but the fine-tuning of growth conditions via methods such as molecular beam epitaxy (MBE) allows to unlock otherwise inaccessible polymorphic structures. Exploring and understanding the morphological and electronic properties of new phases of TMDs is an essential step to enable their exploitation in technological applications. Here, scanning tunneling microscopy (STM) is used to map MBE-grown monolayer (ML) TaTe2 . This work reports the first observation of the 1H polymorphic phase, coexisting with the 1T, and demonstrates that their relative coverage can be controlled by adjusting synthesis parameters. Several superperiodic structures, compatible with CDWs, are observed to coexist on the 1T phase. Finally, this work provides theoretical insight on the delicate balance between Te…Te and Ta-Ta interactions that dictates the stability of the different phases. The findings demonstrate that TaTe2 is an ideal platform to investigate competing interactions, and indicate that accurate tuning of growth conditions is key to accessing metastable states in TMDs.This work was supported by the Spanish Ministry of Science and Innovation (Grant nos. PID2021-123776NB-C21, PGC2018-096955-B-C44, and PID2021-128011NB-I00) and the Comunidad de Madrid (Project S2018/NMT-4511, NMAT2D). IMDEA Nanociencia and IFIMAC acknowledge financial support from the Spanish Ministry of Science and Innovation ‘Severo Ochoa’ (Grant CEX2020-001039-S) and ‘María de Maeztu’ (Grant CEX2018-000805-M) Programme for Centres of Excellence in R&D, respectively. Financial support through the (MAD2D-CM)-MRR MATERIALES AVANZADOS-IMDEA-NC and (MAD2D-CM) MRR MATERIALES AVANZADOS-UAM2 is acknowledged. M.G. has received financial support through the “Ramón y Cajal” Fellowship program (RYC2020-029317-I). I.D.B. acknowledges support from the Maria de Zambrano fellowship program and the MSCA Program (101063547-GAP-101063547), as well as from the FLEET Centre of Excellence, ARC Grant No. CE170100039. E.C. acknowledges support of the Spanish MICIU through the Severo Ochoa FUNFUTURE (CEX2019-000917-S) Excellence Centre distinction and Generalitat de Catalunya (2021SGR01519). J.A.S.G. thankfully acknowledges the computer resources at Marigold and the technical support provided by SCAYLE (RES-FI-2020-2-0040) as well as the computer resources of CCCUAM.With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2019-000917-S).With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2020-001039-S).With funding from the Spanish government through the "Unit of Excellence Maria de Maeztu" accreditation (CEX2018-000805-M).Peer reviewedWiley-VCHMinisterio de Ciencia, Innovación y Universidades (España)Ministerio de Ciencia e Innovación (España)Comunidad de MadridAgencia Estatal de Investigación (España)ARC Centre of Excellence in Future Low-Energy Electronics TechnologiesGeneralitat de CatalunyaBernardo, Iolanda Di [0000-0002-2364-5544]Silva-Guillén, Jose Ángel [0000-0002-0483-5334]Calleja, Fabián [0000-0001-6007-8641]Miranda, Rodolfo [0000-0002-1064-6724]Canadell, Enric [0000-0002-4663-5226]Garnica, Manuela [0000-0002-7861-9490]Vázquez de Parga, Amadeo L. 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