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Pressure-dependent structural and electronic properties of quasi-one-dimensional (TMTTF)2PF6

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2013

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Rose, Eva
Loose, Claudia
Kortus, Jens
Kuntscher, Christine A.
Ebbinghaus, Stefan G.
Hanfland, Michael
Lissner, Falk
Schleid, Thomas
Dressel, Martin

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https://doi.org/10.1088/0953-8984/25/1/014006
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Journal of Physics: Condensed Matter. 2013, 25(1), 014006. ISSN 0953-8984. eISSN 1361-648X. Available under: doi: 10.1088/0953-8984/25/1/014006

Zusammenfassung

We have performed detailed x-ray investigations of the quasi-one-dimensional organic conductor (TMTTF)2PF6 at room temperature and hydrostatic pressures up to 27 kbar. Based on the pressure-dependent crystal structure, the electronic band structure was calculated by density functional theory (DFT). Our systematic study provides important information on the coupling among the organic molecules but also to the anions. We discuss the consequences for the electronic properties and compare them with optical investigations under pressure. The increasing plasma frequency observed perpendicular to the stacks corresponds to a widening of the bands for the b-direction. Around 20 kbar a dimensional crossover occurs from a one-dimensional Mott insulator to a two-dimensional metal.

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ISO 690ROSE, Eva, Claudia LOOSE, Jens KORTUS, Alexej PASHKIN, Christine A. KUNTSCHER, Stefan G. EBBINGHAUS, Michael HANFLAND, Falk LISSNER, Thomas SCHLEID, Martin DRESSEL, 2013. Pressure-dependent structural and electronic properties of quasi-one-dimensional (TMTTF)2PF6. In: Journal of Physics: Condensed Matter. 2013, 25(1), 014006. ISSN 0953-8984. eISSN 1361-648X. Available under: doi: 10.1088/0953-8984/25/1/014006
BibTex
@article{Rose2013-01-09Press-42178,
  year={2013},
  doi={10.1088/0953-8984/25/1/014006},
  title={Pressure-dependent structural and electronic properties of quasi-one-dimensional (TMTTF)<sub>2</sub>PF<sub>6</sub>},
  number={1},
  volume={25},
  issn={0953-8984},
  journal={Journal of Physics: Condensed Matter},
  author={Rose, Eva and Loose, Claudia and Kortus, Jens and Pashkin, Alexej and Kuntscher, Christine A. and Ebbinghaus, Stefan G. and Hanfland, Michael and Lissner, Falk and Schleid, Thomas and Dressel, Martin},
  note={Article Number: 014006}
}
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