Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6

We present high-resolution near-edge X-ray absorption fine structure (NEXAFS) measurements at the P L2/3 edges, F K edge, C K edge, and Se M2/3 edges of the quasi-one-dimensional (1D) conductor and superconductor (TMTSF)2PF6. NEXAFS allows probing the donor and acceptor moieties separately; spectra...

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Autores: Medjanik, K., Chernenkaya, A., Kozina, X., Nepijko, S. A., Öhrwall, G., Foury-Leylekian, Pascale, Alemany i Cahner, Pere, Schönhense, G., Canadell, Enric, 1950-, Pouget, Jean-Paul
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2016
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/127738
Acceso en línea:https://hdl.handle.net/2445/127738
Access Level:acceso abierto
Palabra clave:Raigs X
Conductors orgànics
X-rays
Organic conductors
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spelling Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6Medjanik, K.Chernenkaya, A.Kozina, X.Nepijko, S. A.Öhrwall, G.Foury-Leylekian, PascaleAlemany i Cahner, PereSchönhense, G.Canadell, Enric, 1950-Pouget, Jean-PaulRaigs XConductors orgànicsX-raysOrganic conductorsWe present high-resolution near-edge X-ray absorption fine structure (NEXAFS) measurements at the P L2/3 edges, F K edge, C K edge, and Se M2/3 edges of the quasi-one-dimensional (1D) conductor and superconductor (TMTSF)2PF6. NEXAFS allows probing the donor and acceptor moieties separately; spectra were recorded between room temperature (RT) and 30 K at normal incidence. Spectra taken around RT were also studied as a function of the angle (θ) between the electric field of the X-ray beam and the 1D conducting direction. In contrast with a previous study of the S L2/3-edges spectra in (TMTTF)2AsF6, the Se M2/3 edges of (TMTSF)2PF6 do not exhibit a well-resolved spectrum. Surprisingly, the C K-edge spectra contain three well-defined peaks exhibiting strong and nontrivial θ and temperature dependence. The nature of these peaks as well as those of the F K-edge spectra could be rationalized on the basis of first-principles DFT calculations. Despite the structural similarity, the NEXAFS spectra of (TMTSF)2PF6 and (TMTTF)2AsF6 exhibit important differences. In contrast with the case of (TMTTF)2AsF6, the F K-edge spectra of (TMTSF)2PF6 do not change with temperature despite stronger donor−anion interactions. All these features reveal subtle differences in the electronic structure of the TMTSF and TMTTF families of salts.American Chemical Society2016info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttps://hdl.handle.net/2445/127738Articles publicats en revistes (Ciència dels Materials i Química Física)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésVersió postprint del document publicat a: https://doi.org/10.1021/acs.jpca.6b07536Journal of Physical Chemistry A, 2016, vol. 120, p. 8574-8583https://doi.org/10.1021/acs.jpca.6b07536(c) American Chemical Society , 2016info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1277382026-05-27T06:46:51Z
dc.title.none.fl_str_mv Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6
title Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6
spellingShingle Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6
Medjanik, K.
Raigs X
Conductors orgànics
X-rays
Organic conductors
title_short Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6
title_full Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6
title_fullStr Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6
title_full_unstemmed Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6
title_sort Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6
dc.creator.none.fl_str_mv Medjanik, K.
Chernenkaya, A.
Kozina, X.
Nepijko, S. A.
Öhrwall, G.
Foury-Leylekian, Pascale
Alemany i Cahner, Pere
Schönhense, G.
Canadell, Enric, 1950-
Pouget, Jean-Paul
author Medjanik, K.
author_facet Medjanik, K.
Chernenkaya, A.
Kozina, X.
Nepijko, S. A.
Öhrwall, G.
Foury-Leylekian, Pascale
Alemany i Cahner, Pere
Schönhense, G.
Canadell, Enric, 1950-
Pouget, Jean-Paul
author_role author
author2 Chernenkaya, A.
Kozina, X.
Nepijko, S. A.
Öhrwall, G.
Foury-Leylekian, Pascale
Alemany i Cahner, Pere
Schönhense, G.
Canadell, Enric, 1950-
Pouget, Jean-Paul
author2_role author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Raigs X
Conductors orgànics
X-rays
Organic conductors
topic Raigs X
Conductors orgànics
X-rays
Organic conductors
description We present high-resolution near-edge X-ray absorption fine structure (NEXAFS) measurements at the P L2/3 edges, F K edge, C K edge, and Se M2/3 edges of the quasi-one-dimensional (1D) conductor and superconductor (TMTSF)2PF6. NEXAFS allows probing the donor and acceptor moieties separately; spectra were recorded between room temperature (RT) and 30 K at normal incidence. Spectra taken around RT were also studied as a function of the angle (θ) between the electric field of the X-ray beam and the 1D conducting direction. In contrast with a previous study of the S L2/3-edges spectra in (TMTTF)2AsF6, the Se M2/3 edges of (TMTSF)2PF6 do not exhibit a well-resolved spectrum. Surprisingly, the C K-edge spectra contain three well-defined peaks exhibiting strong and nontrivial θ and temperature dependence. The nature of these peaks as well as those of the F K-edge spectra could be rationalized on the basis of first-principles DFT calculations. Despite the structural similarity, the NEXAFS spectra of (TMTSF)2PF6 and (TMTTF)2AsF6 exhibit important differences. In contrast with the case of (TMTTF)2AsF6, the F K-edge spectra of (TMTSF)2PF6 do not change with temperature despite stronger donor−anion interactions. All these features reveal subtle differences in the electronic structure of the TMTSF and TMTTF families of salts.
publishDate 2016
dc.date.none.fl_str_mv 2016
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/127738
url https://hdl.handle.net/2445/127738
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Versió postprint del document publicat a: https://doi.org/10.1021/acs.jpca.6b07536
Journal of Physical Chemistry A, 2016, vol. 120, p. 8574-8583
https://doi.org/10.1021/acs.jpca.6b07536
dc.rights.none.fl_str_mv (c) American Chemical Society , 2016
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) American Chemical Society , 2016
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv Articles publicats en revistes (Ciència dels Materials i Química Física)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,301629

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