Related papers: Effective three-band model for double perovskites
The dynamical mean field method is used to analyze the magnetic transition temperature and optical conductivity of a model for the ferrimagnetic double perovskites such as $Sr_2FeMoO_6$. The calculated transition temperatures and optical…
The effective Hamiltonian for perovskite titanates is derived by taking into account the three-fold degeneracy of $t_{2g}$ orbitals and the strong electron-electron interactions. The magnetic and orbital ordered phases are studied in the…
Using the Hubbard Hamiltonian for transition metal-3d and oxygen-2p states with perovskite geometry, we propose a new scaling procedure for a nontrivial extension of these systems to large spatial dimensions $D$. The scaling procedure is…
Accurate orthogonal tight-binding Hamiltonians are constructed for ferromagnetic SrRuO$_3$ and the layered perovskite superconductor, Sr$_2$RuO$_4$ by fitting to all-electron full-potential local density band structures obtained by the…
We apply the dynamical mean field theory (DMFT) in the iterative perturbation theory(IPT) to doubly degenerate eg bands and triply degenerate tg bands on a simple cubic lattice and calculate the spectrum and optical conductivity in…
The microscopic mechanism of the metal-insulator transition is studied by orbital-resolved 51V NMR spectroscopy in a prototype of the quasi-one-dimensional system V6O13. We uncover that the transition involves a site-selective d orbital…
We present a semi-empirical effective Hamiltonian to capture effects of disorder associated with Ba and Sr cations occupying $A$ sites in (Ba$_{x}$Sr$_{1-x}$)TiO$_3$ on its ferroelectric phase transition. Averaging between the parameters of…
Inspired by recent experiments on the Sr-doped nickelates, $La_{2-x}Sr_xNiO_4$, we propose a minimal microscopic model capable to describe the variety of the observed quasi-static charge/lattice modulations and the resulting magnetic and…
In real transition-metal oxides, the so-called GdFeO3 octahedral tilt is long known to be a relevant control parameter influencing the range of orbital and magnetic ordered states found across families of cubic perovskite families. Their…
We study the phase diagram of a square lattice Hubbard model with a perfect vacancy superstructure. The model can be also defined on a new bipartite lattice with each building blocks consisting of a minimal square. The non-interacting model…
High-Tc superconductivity with possible $T_{c}\approx 80K$ has been reported in the single crystal of $\text{La}_{3}\text{Ni}_{2}\text{O}_{7}$ under high pressure. Based on the electronic structure given from the density functional theory…
We define a general strategy for finding new heavy-fermionic materials without rare-earth elements: doping a Hund metal with pronounced orbital-selective correlations towards half-filling. We argue that in general band structures a possible…
The double Hamiltonian Hopf bifurcation is studied, i.e. a generic two-parametric unfolding of a smooth Hamiltonian system with four degrees of freedom which has at the critical value of parameters the equilibrium with two pairs of double…
Quasi-particle spectra of the layer perovskite Sr$_2$RuO$_4$ are calculated within Dynamical Mean Field Theory for increasing values of the on-site Coulomb energy $U$. At small $U$ the planar geometry splits the $t_{2g}$ bands near $E_F$…
We introduce two dimensional fermionic band models with two orbitals per lattice site, or one spinful orbital, and which have a non-zero topological Chern number that can be changed by varying the ratio of hopping parameters. A…
We formulate a theory of double perovskite coumpounds such as Sr$_2$FeReO$_6$ and Sr$_2$FeMoO$_6$ which have attracted recent attention for their possible uses as spin valves and sources of spin polarized electrons. We solve the theory in…
We introduce a simple yet versatile protocol to inverse engineer the time-dependent Hamiltonian in two- and three level systems. In the protocol, by utilizing a universal SU(2) transformation, a given speedup goal can be obtained with large…
The metal-insulator transition in VO2 was investigated using the three-band Hubbard model, in which the degeneracy of the 3d orbitals, the on-site Coulomb and exchange interactions, and the effects of lattice distortion were considered. A…
In this article, I discuss W.Kohn's criterion for a metal insulator transition, within the framework of a one band Hubbard model. This and related ideas are applied to 1-dimensional Hubbard systems, and some intersting miscellaneous results…
In recent years, low-dimensional materials with tetragonal $P4/nmm$ (orthorhombic $Pnma$) space group having square-net (chain-like) substructure of $p$-block elements have been studied extensively. By using a first-principles calculation…