Abstract

A new mixed-anion crystal composed of BEDT-TTF radical cation salt [BEDT-TTF]2(CuBr2)0.4(CuCl2)0.6 with an α'-type donor arrangement with a formal charge of +0.5 per BEDT-TTF was prepared by using a chemical oxidation method and characterized by using X-ray diffraction, four-probe electrical resistivity measurements (semiconductor: ρrt = 2 × 102 Ω cm, Ea = 0.2 eV), and energy band calculations. The results showed that this system had a quasi-one dimensional Fermi surface.

Highlights

  • The organic donor molecule BEDT-TTF (bis(ethylenedithio)tetrathiafulvalene) can be used to prepare a series of charge transfer salts with a wide range of electronic properties [1]

  • The charge transfer salts α'-[BEDT-TTF]2X (X = PF6−, ClO4−, AuBr2−, Ag(CN)2−, CuCl2−, C4(CN)6−, CH3C6H4SO3−, C5CN5−, and N(CN2)−) are Mott-Hubbard insulators due to twisted dimer units of the donors which repeat along the stacking axis [9,10,11]

  • We focused on new BEDT-TTF radical cation salt formed by α'-arrangement of the donor molecule with mixed anions, and prepared α'-[BEDT-TTF]2(CuBr2)0.4(CuCl2)0.6 (1), in order to control

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Summary

Introduction

The organic donor molecule BEDT-TTF (bis(ethylenedithio)tetrathiafulvalene) can be used to prepare a series of charge transfer salts with a wide range of electronic properties [1]. The radical cation salt with mixed anions θ-[BEDT-TTF]2(I3)1−x(A)x (A = AuI2− and I2Br−) exhibits partial superconducting behavior [8]. The charge transfer salts α'-[BEDT-TTF]2X (X = PF6−, ClO4−, AuBr2−, Ag(CN)2−, CuCl2−, C4(CN)6−, CH3C6H4SO3−, C5CN5−, and N(CN2)−) are Mott-Hubbard insulators due to twisted dimer units of the donors which repeat along the stacking axis (the a axis) [9,10,11]. Mott-Hubbard insulators can exhibit different electronic properties upon application of physical or chemical pressures. Κ-[BEDT-TTF]2(Cu(N(CN)2)Cl) is a Mott-Hubbard type insulator, which becomes a superconductor upon application of hydrostatic pressure (>0.03 GPa) or by exchanging the Cl− ion with a Br− ion [5,6]. We report the crystal structure and electronic state of the mixed-anion crystal

Preparation
Molecular Structure of Cation and Anion Moieties of 1
Crystal Structure of 1
Calculated Band Structure of 1
Electrical Resistivity of 1
Materials
Crystal Structure Determination
Overlap Integral Calculation
Electrical Resistivity
Conclusions
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