Charge density wave and metallic state coexistence in the multiband conductor TTF[Ni (dmit ) 2]2
Abstract
We have established a pressure-temperature phase diagram of TTF [Ni(dmit)2] 2 based on spin susceptibility at ambient pressure as well as longitudinal and transverse resistivity measurements under pressure up to 30 kbar. The data were analyzed on the basis of first-principles density functional theory calculations. We were able to find several phase transitions and identify three different charge density wave (CDW) states which all coexist with a metallic state in a wide temperature range and superconductivity at the lowest temperatures. This metallicity arises from the development, upon cooling, of a two-dimensional band associated to the Ni (dmit) 2 chains. At low pressure, two successive CDW transitions have been clearly identified and are associated to the successive nesting of two strongly one-dimensional bands: The LUMO and HOMOI of the Ni (dmit) 2 chains. These two transitions merge into a single one at 12 kbar which probably corresponds to the partial nesting of a bunch of LUMOs into the HOMOI's. A maximum of this unique CDW transition temperature is observed at 19 kbar. The CDW instability associated to the LUMO band is announced by an important regime of Peierls-like fluctuations in the metallic state which give rise to the progressive development of a pseudogap in the spin susceptibility which has been quantitatively analyzed using the Lee-Rice-Anderson theory.
- Publication:
-
Physical Review B
- Pub Date:
- November 2014
- DOI:
- 10.1103/PhysRevB.90.205132
- Bibcode:
- 2014PhRvB..90t5132K
- Keywords:
-
- 72.15.Nj;
- 71.20.-b;
- 73.61.Ph;
- Collective modes;
- Electron density of states and band structure of crystalline solids;
- Polymers;
- organic compounds