Overlap as a Criterion for Conduction in the Cubic Tungsten Bronzes
- 1 June 1967
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 46 (11) , 4288-4291
- https://doi.org/10.1063/1.1840539
Abstract
Overlap calculations using Slater orbitals with exponents adjusted to match SCF functions have been performed on eight pairs of orbitals which have been considered to have some pertinence to conduction in the cubic sodium tungsten bronzes. The results support the dπ—pπ model proposed by Sienko and by Good‐enough and clearly indicate where the overlap criterion alone breaks down, namely for the case of sodium—sodium pσ—pσ overlap.Keywords
This publication has 11 references indexed in Scilit:
- Transient Nuclear-Magnetic-Resonance Study of the Conduction Band of Metallic:RelaxationPhysical Review B, 1966
- Covalency Criterion for Localized vs Collective Electrons in Oxides with the Perovskite StructureJournal of Applied Physics, 1966
- The relation of the electrical conductivity in single crystals of rhenium trioxide to the conductivities of Sr2MgReO6 and NaxWO3Journal of Physics and Chemistry of Solids, 1965
- Fermi Surface in TungstenPhysical Review B, 1965
- Fermi Surfaces of Cr, Mo, and W by the Augmented-Plane-Wave MethodPhysical Review B, 1965
- Transient Nuclear Magnetic Resonance Study of the Conduction Band of Metallic:RelaxationPhysical Review B, 1964
- Model for the Electronic Structure of Metal Tungsten BronzesThe Journal of Chemical Physics, 1963
- Nuclear Magnetic Resonance in Metal Tungsten BronzesThe Journal of Chemical Physics, 1962
- Conduction Electrons in Sodium Tungsten BronzeThe Journal of Chemical Physics, 1960
- Thallium-Tungsten Bronze: A Solid State Defect Structure1Journal of the American Chemical Society, 1959