Electronic calculations on thewarwickite: A real-space renormalization approach
- 15 August 1997
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 56 (7) , 3672-3677
- https://doi.org/10.1103/physrevb.56.3672
Abstract
Electronic properties of a warwickite, , are calculated within the Green’s functions formalism, taking into account the crystallographic structure of the system and using a multiorbital basis to represent the Hamiltonian. The many body problem is considered through an alloy analog approximation for the intra-atomic interaction at the titanium sites by using real-space renormalization techniques. Local and total density of states reflect the one-dimensional character of the structure and its insulating nature. The metal-nonmetal transition is also analyzed as a function of the charge doping.
Keywords
This publication has 6 references indexed in Scilit:
- Strongly disordered Heisenberg spin-1 chains: Vanadium warwickitesPhilosophical Magazine Part B, 1996
- Warwickites: Electronic Structure and BondingChemistry of Materials, 1996
- Titanium-III warwickites: A family of one-dimensional disordered magnetic systemsPhysical Review B, 1994
- Oxygen-disorder and correlation effects on the hole concentration and metal-nonmetal transition inPhysical Review B, 1990
- Monte Carlo simulation of directed percolation on a square latticeJournal of Physics C: Solid State Physics, 1981
- An Extended Hückel Theory. I. HydrocarbonsThe Journal of Chemical Physics, 1963