Near-Edge x‑ray absorption fine structure investigation of the quasi-One-Dimensional organic conductor (TMTSF)2PF6
(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
- 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.
- organization
- publishing date
- 2016-01-01
- 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 (ACS)
- 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
- 2023-01-11 14:41:27
@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 (ACS)}}, 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}}, doi = {{10.1021/acs.jpca.6b07536}}, volume = {{120}}, year = {{2016}}, }