Fermi surface and effect of high magnetic fields on the metal–semimetal Peierls-like transition of (TSeT)2Cl
Vladimir Laukhin1,2, Alain Audouard3, David Vignolles3, Loïc Drigo3, Pere Alemany4, and Enric Canadell2
1Institut Català de Recerca i Estudis Avançats (ICREA), Barcelona, Spain
2Institut de Ciència de Materials de Barcelona (CSIC), Campus UAB, Bellaterra 08193, Spain
3Laboratoire National des Champs Magnétiques Intenses (UPR 3228 CNRS, INSA, UJF, UPS) 143 Avenue de Rangueil, F-31400 Toulouse, France
4Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB) Universitat de Barcelona, Martí i Franquès 1, Barcelona 08028, Spain
Received October 18, 2013
Resistance measurements in pulsed magnetic fields up to 55 T as well as a first-principles DFT calculation of the Fermi surface for the organic metal (TSeT)2Cl have been performed to investigate its metal–semimetal phase transition. The results obtained are in line with the imperfect nesting that can be inferred from both the observed metallic behavior of the resistivity at low temperature and the previously reported Shubnikov–de Haas oscillations due to small carrier pockets. The DFT study points out the possibility that the LUMO bands of the TSeT donor may interact with the HOMO ones and modify the shape of the Fermi surface under pressure.
PACS: 71.18.+y Fermi surface: calculations and measurements; effective mass, g-factor; PACS: 71.20.Rv Polymers and organic compounds; PACS: 72.15.Gd Galvanomagnetic and other magnetotransport effects.