ELECTRONIC CALCULATIONS ON THE MGTIOBO3 WARWICKITE - A REAL-SPACE RENORMALIZATION APPROACH

Citation
Dc. Marcucci et al., ELECTRONIC CALCULATIONS ON THE MGTIOBO3 WARWICKITE - A REAL-SPACE RENORMALIZATION APPROACH, Physical review. B, Condensed matter, 56(7), 1997, pp. 3672-3677
Citations number
10
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
56
Issue
7
Year of publication
1997
Pages
3672 - 3677
Database
ISI
SICI code
0163-1829(1997)56:7<3672:ECOTMW>2.0.ZU;2-O
Abstract
Electronic properties of a warwickite, MgTiOBO3, are calculated within the Green's functions formalism, taking into account the crystallogra phic structure of the system and using a multiorbital basis to represe nt the Hamiltonian. The many body problem is considered through an all oy analog approximation for the intraatomic interaction at the titaniu m sites by using real-space renormalization techniques. Local and tota l density of states reflect the one-dimensional character of the struc ture and its insulating nature. The metal-nonmetal transition is also analyzed as a function of the charge doping.