Publication View

Band structure of TTF-TCNQ (1978)

Abstract
The band structure, the shape of the Fermi surface, and the electronic density of states of TTF-TCNQ are calculated by the LCAO method, for various reasonable values of the effective transfer integrals, for a case in which the intra-chain scattering can be neglected. The integral in the [111] direction is shown to have a drastic effect.

Publication details
Download http://hal.archives-ouvertes.fr/jpa-00208804/en/
Publisher HAL - CCSD
Repository CCSd/HAL : e-articles server (based on gBUS) (France)
Keywords Physics/Physics archives, band structure, electronic density of states, Fermi surface, LCAO calculations, one dimensional conductivity, organic compounds
Type peer-reviewed article
Language English
Relation http://hal.archives-ouvertes.fr/docs/00/20/88/04/PDF/ajp-jphys_1978_39_6_711_0.pdf