Energy spectrum of the organic quasi-1D conductors with NNN and correlated hopping

Abstract

A model for organic quasi-one-dimensional conductors (TMTTF) 2 X and (TMTSF) 2 X is considered. The anisotropic character of these compounds is modelled by two different hopping parameters: t between nearest neighbors (NN) in a chain of tetramethyl-tetrathiafulvalene (TMTTF) or tetramethyl-tetraselenfulvalene (TMTSF) molecules and t between the chains (NNN -between next nearest neighbors). Taking into account the correlated hopping of electrons allows us to describe the effect of site occupancy on hopping processes. In a regime of strong intraatomic correlation, high energy processes are cut off by applying two successive canonical transformations. An effective model is obtained for concentration of electrons n < 1 which contains kinetic exchange terms of antiferromagnetic (AF) nature. Oppositely, NNN hopping and correlated hopping disfavor the AF order. The energy spectrum of the effective model is calculated. Application of the obtained results to quasi-one-dimensional conductors is discussed.

3d-electrons contribution to cohesive energy of 3d-metals

“…The calculated values of cohesive energy are close to the experimentally obtained for Sc-Ti-V-Cr-Mn-Fe series. The obtained results can be extended for explaining the peculiarities of melting temperatures of transition 3d-metals on their atomic number and other systems [23][24][25][26] for which strong Coulomb correlations determine the peculiarities of the energy spectrum.…”