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Near-Edge x‑ray absorption fine structure investigation of the quasi-One-Dimensional organic conductor (TMTSF)2PF6

Medjanik, K. LU ; Chernenkaya, A.; Kozina, X.; Nepijko, S. A.; Öhrwall, G. LU ; Foury-Leylekian, P.; Alemany, P.; Schönhense, G.; Canadell, E. and Pouget, J. P. (2016) In Journal of Physical Chemistry A 120(43). p.8574-8583
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... (More)

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.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry A
volume
120
issue
43
pages
10 pages
publisher
The American Chemical Society
external identifiers
  • scopus:85045839302
ISSN
1089-5639
DOI
10.1021/acs.jpca.6b07536
language
English
LU publication?
yes
id
7b86cfea-0067-406f-a320-503b4b7b5982
date added to LUP
2018-05-07 12:46:39
date last changed
2019-05-28 03:40:18
@article{7b86cfea-0067-406f-a320-503b4b7b5982,
  abstract     = {<p>We present high-resolution near-edge X-ray absorption fine structure (NEXAFS) measurements at the P L<sub>2/3</sub> edges, F K edge, C K edge, and Se M<sub>2/3</sub> edges of the quasi-one-dimensional (1D) conductor and superconductor (TMTSF)<sub>2</sub>PF<sub>6</sub>. 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 L<sub>2/3</sub>-edges spectra in (TMTTF)<sub>2</sub>AsF<sub>6</sub>, the Se M<sub>2/3</sub> edges of (TMTSF)<sub>2</sub>PF<sub>6</sub> 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)<sub>2</sub>PF<sub>6</sub> and (TMTTF)<sub>2</sub>AsF<sub>6</sub> exhibit important differences. In contrast with the case of (TMTTF)<sub>2</sub>AsF<sub>6</sub>, the F K-edge spectra of (TMTSF)<sub>2</sub>PF<sub>6</sub> 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.</p>},
  author       = {Medjanik, K. and Chernenkaya, A. and Kozina, X. and Nepijko, S. A. and Öhrwall, G. and Foury-Leylekian, P. and Alemany, P. and Schönhense, G. and Canadell, E. and Pouget, J. P.},
  issn         = {1089-5639},
  language     = {eng},
  month        = {01},
  number       = {43},
  pages        = {8574--8583},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry A},
  title        = {Near-Edge x‑ray absorption fine structure investigation of the quasi-One-Dimensional organic conductor (TMTSF)<sub>2</sub>PF<sub>6</sub>},
  url          = {http://dx.doi.org/10.1021/acs.jpca.6b07536},
  volume       = {120},
  year         = {2016},
}