Vibronic coupling constants in BEDT-TTF and C60

Faulhaber, J. C. R.; Ko, D. Y. K.; Briddon, P.R.

doi:10.1007/bf00732235

J Supercond

1995

DOI: 10.1007/bf00732235

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Vibronic coupling constants in BEDT-TTF and C60

J. C. R. Faulhaber

D. Y. K. Ko

P.R. Briddon

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Cited by 5 publications

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“…As it is evident from fig.1, there are large regions in the k space where the effective electronic masses are very large, even larger than the phonon masses. In other words, since the ab initio b 2 value corresponds to 685 cm −1 , so that most of the intramolecular phonons [21,22] are in the antiadiabatic limit with respect to b 2 hopping. Along this direction an antiadiabatic polaron narrowing [23] can become effective, reducing b 2 hopping.…”

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The dimer model for κ-phase organic superconductors

Visentini¹,

Painelli²,

Girlando³

et al. 1998

Europhys. Lett.

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We prove that the upper electronic bands of κ-phase BEDT-TTF salts are adequately modeled by an half-filled tight-binding lattice with one site per cell. The band parameters are derived from recent ab initio calculations, getting a very simple but extremely accurate one-electron picture. This picture allows us to solve the BCS gap equation adopting a real-space pairing potential. Comparison of the calculated superconducting properties with the experimental data points to isotropic s0-pairing. Residual many-body or phonon-mediated interactions offer a plausible explanation of the large variety of physical properties observed in κ-phase BEDT-TTF salts.PACS numbers: 71.15.Fv, 74.20.Fg, 74.70.Kn, Superconductivity (SC) in organic charge transfer (CT) salts has been discovered more than 15 years ago. At present, κ-phase BEDT-TTF (ET) salts are the most promising organic superconductors (OSC) [1]. OSC have similar features to cuprate superconductors: they exhibit highly bidimensional structures, narrow electronic bands, low carrier densities and possibly strong electronic correlations. Superconducting properties are also similar in organics and cuprates, exhibiting singlet pairing [2], very low coherence lengths, high magnetic penetration depths and critical fields [1]. Perhaps the most characteristic feature of cuprate superconductors is the competition between SC and antiferromagnetism (AFM). This competition shows up also in OSC, as demonstrated by the presence of antiferromagnetic spin fluctuations in the metallic state of several compounds [2], or even by reentrant SC in the presence of magnetic order. In this respect the different behavior of κ-ET 2 Cu[N(CN) 2 ]X (ET-X) salts where X=Cl, Br is noteworthy: the two compounds are isostructural, but at ambient pressure the Br-compound is a superconductor with T c = 11.6 K, whereas the Clcompound is a Mott insulator with (possibly commensurate) antiferromagnetic ordering [2]. On the other hand, even a very small external pressure (270 bar), turns ETCl to the superconducting ground state (T c = 12.8 K) [1]. Experimental studies of normal and superconducting state properties in OSC are still scanty and often inconclusive, due to the extreme sensitivity of the material to pressure, radiation and sample preparation. At the same time, the amount of theoretical work on OSC is scarce if compared with that developed for cuprates, possibly due to the apparent complexity of the OSC structures. In the following we will show that, by a proper choice of the basis functions, the electronic structure of κ-phase ET salts can be accurately described in terms of a rectangular lattice with nearest and next-nearest neighbor interactions. Similar one-band models are often adopted in the study 1

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“…Along this direction an antiadiabatic polaron narrowing [23] can become effective, reducing b 2 hopping. From the available coupling constants and phonon frequencies [21,22], the polaron narrowing factor is estimated about 3.…”

mentioning

confidence: 99%

The dimer model for κ-phase organic superconductors

Visentini¹,

Painelli²,

Girlando³

et al. 1998

Europhys. Lett.

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Forces in EDO-TTF: Theoretical study of isotope and charge effects on vibronic coupling

Tokunaga

2011

Physics Procedia

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The structures and properties of tetrafluoromethane, hexafluoroethane, and octafluoropropane using the AIMPRO density functional program

Zoellner

Latham

Goss

et al. 2003

Journal of Fluorine Chemistry

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Vibronic coupling constants in BEDT-TTF and C60

Cited by 5 publications

References 11 publications

The dimer model for κ-phase organic superconductors

The dimer model for κ-phase organic superconductors

Forces in EDO-TTF: Theoretical study of isotope and charge effects on vibronic coupling

The structures and properties of tetrafluoromethane, hexafluoroethane, and octafluoropropane using the AIMPRO density functional program

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