Bulletin of the American Physical Society
APS March Meeting 2018
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session L31: Organic Superconductors
11:15 AM–2:15 PM,
Wednesday, March 7, 2018
LACC Room: 407
Sponsoring Unit: DCMP
Chair: Arthur Hebard, University of Florida
Abstract: L31.00002 : Deviations from half-filling and charge ordering tendencies in β''-type purely organic charge transfer salts
11:27 AM–11:39 AM
The β''-(BEDT-TTF)2X class of charge-transfer salts with sulfonate anions X- forms a purely organic family with metallic and superconducting members. The X-=SF5CH2CF2SO3 anion is an especially interesting compound which superconducts and for which the spatially modulated Fulde Ferrell Ovchinnikov Larkin (FFLO) superconducting order parameter has been reported. The X-=SF5CHFCF2SO3 compound is known for a metal insulator transition which occurs as function of temperature. Other members of this family of materials have X-=SF5CHFSO3, X-=SF5CH2SO3 and X-=CF3CH2SO3 anions.
We investigate this class of compounds with all electron density functional theory calculations. We carefully compare electronic structures and Fermi surfaces. We find significant deviations from half-filling which help to explain the results of quantum oscillation experiments. We compare to the electronic structure of β''-(BEDT-TTF)2X materials with inorganic anions X-. Analysis of the tendencies to charge charge order at the DFT level yield interesting differences between the materials.
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