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http://hdl.handle.net/2445/127738
Title: | Near-Edge X‐ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6 |
Author: | 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 |
Keywords: | Raigs X Conductors orgànics X-rays Organic conductors |
Issue Date: | 5-Oct-2016 |
Publisher: | American Chemical Society |
Abstract: | 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. |
Note: | Versió postprint del document publicat a: https://doi.org/10.1021/acs.jpca.6b07536 |
It is part of: | Journal of Physical Chemistry A, 2016, vol. 120, p. 8574-8583 |
URI: | http://hdl.handle.net/2445/127738 |
Related resource: | https://doi.org/10.1021/acs.jpca.6b07536 |
ISSN: | 1089-5639 |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
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