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
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.