Chemistry Letters · 1986 · 85 citations · 7 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureMaterials ChemistryCrystallographyElectronic Band StructureElectronic Structure Of SolidsMolecular StructureSuperconducting MaterialsX-ray CrystallographyBand Structure CalculationDihedral AngleDihedral EffectFermi SurfaceSuperconductivity In Low-dimensional SystemsTwo-dimensional MaterialsTwo-dimensional Superconductors
Abstract The crystal and electronic structures of molecular superconductor θ-(BEDT-TTF)2(I3)1−x(AuI2)x (x<0.02) were examined. BEDT-TTF molecules form a two-dimensional network. The dihedral angle between the planes of the neighbouring molecules interrelated by the screw axis is about 80°. Examination of the band structure suggests that this complex is the first example of the molecular conductor with a completely round two-dimensional Fermi surface.
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Roothaan-Hartree-Fock atomic wavefunctions
E. Clementi, C. Roetti · Atomic Data and Nuclear Data Tables · 1974 · 5.5K citations
Klaus Bender, I. Hennig, D. Schweitzer et al. · Molecular crystals and liquid crystals · 1984 · 396 citations