Related papers: Effective three-band model for double perovskites
We construct an effective Hamiltonian for the motion of T2g highly correlated states in NaxCoO2. We solve exactly a multiband model in a CoO6 cluster with electronic occupation corresponding to a nominal Co valence of either +3 or +4. Using…
By a canonical transformation of the three-band Hubbard model, we introduce an effective Hamiltonian for the propagation of two holes doped into the ground state of the Cu-O plane. When the pair belongs to the $^{1}B_{2}$ or $% ^{1}A_{2}$…
Several puzzling aspects of interplay of the experimental lattice distortion and the the magnetic properties of four narrow $t_{2g}$-band perovskite oxides (YTiO$_3$, LaTiO$_3$, YVO$_3$, and LaVO$_3$) are clarified using results of…
We construct an effective Hamiltonian for the motion of t2g highly correlated states in NaxCoO2. This three-band model includes the indirect Co-O-Co hopping t and the crystal-field splitting 3D. Calculations in a CoO6 cluster give the…
The Mott-Hubbard metal-insulator transition is investigated in a two-band Hubbard model within dynamical mean-field theory. To this end, we use a suitable extension of Wilson's numerical renormalization group for the solution of the…
The band structure of Ca_3PbO, which possesses a three-dimensional massive Dirac electron at the Fermi energy, is investigated in detail. Analysis of the orbital weight distributions on the bands obtained in the first-principles calculation…
The antiferromagnetic ground state of the half-filled Hubbard model with the doubly degenerate orbital has been studied by using the slave-boson mean-field theory which was previously proposed by the present author. Numerical calculations…
Using the recently developed Nth-order muffin-tin-orbital (NMTO) based downfolding technique we revisit the electronic properties of half-metallic ferromagnets, the semi-Heusler NiMnSb and rutile CrO2. The NMTO Wannier orbitals for the Mn-d…
We calculate the effective interaction $W_{eff}$ between two holes added to the ground state of the repulsive three-band Hubbard model. To make contact with Cooper theory and with earlier Hubbard model cluster studies, we first use a…
The Mott metal-insulator transition in the two-band Hubbard model in infinite dimensions is studied by using the linearized dynamical mean-field theory. The discontinuity in the chemical potential for the change from hole to electron doping…
Inelastic neutron scattering experiments show that spin dynamics in the charge ordered insulating ground state of the double-layer perovskite YBaFe2O5 is well described in terms of eg superexchange interactions. Above the Verwey transition…
In this work we discuss the occurrence of ferromagnetism in transition-like metals. The metal is represented by two hybridized($V$) and shifted $(\epsilon_s$) bands one of which includes Hubbard correlation whereas the other is…
From configuration interaction (CI) ab initio calculations, we derive an effective two-orbital extended Hubbard model based on the gerade (g) and ungerade (u) molecular orbitals (MOs) of the charge-transfer molecular conductor (TTM-TTP)I_3…
Interaction-driven metal-insulator transitions or Mott transitions are widely observed in condensed-matter systems. In multi-orbital systems, many-body physics is richer in which an orbital-selective metal-insulator transition is an…
We address the low-energy effective Hamiltonian of electron doped d0 perovskite semiconductors in cubic and tetragonal phases using the k*p method. The Hamiltonian depends on the spin-orbit interaction strength, on the temperature-dependent…
We introduce and solve a two-band model of spinless fermions with $p_x$-wave pairing on a square lattice. The model reduces to the well-known extended Harper-Hofstadter model with half-flux quanta per plaquette and weakly coupled Kitaev…
We show that the cubic compound PtBi2, is a topological semimetal hosting a sixfold band touching point in close proximity to the Fermi level. Using angle-resolved photoemission spectroscopy, we map the bandstructure of the system, which is…
I investigate band and Mott insulating states in a two-band Hubbard model, with the aim of understanding the differences between the idealised one-orbital model and the more realistic multi-band case. Using a projection ansatz I show that…
The mass-imbalanced Hubbard model represents a continuous evolution from the Hubbard to the Falicov-Kimball model. We employ dynamical mean field theory and study the paramagnetic metal-insulator transition, which has a very different…
We develop an efficient approach for computing two-particle response functions and interaction vertices for multiorbital strongly correlated systems based on fluctuation around rotationally-invariant slave-boson saddle-point. The method is…