Related papers: Large Orbital Magnetic Moment and Coulomb Correlat…
Electronic and magnetic (e-m) properties of FeBr2 have been surprisingly well described as originating from the Fe2+ ions and their fine electronic structure. The fine electronic structure have been evaluated taking into account the…
Magnetic moment of the Fe2+ ion in FeBr2 has been calculated to be 4.32 mB in the magnetically-ordered state at 0 K. It is composed from the spin moment of 3.52 mB and the orbital moment of +0.80 mB. These calculations show that for the…
Magnetic moment of the Fe2+ ion in FeO, FeS and FeBr2 has been calculated within the quantum atomistic solid-state theory to substantially exceed a value of 4 muB in the magnetically-ordered state at 0 K. In all compounds the large orbital…
We present results of GGA+U calculations for the "d^0 magnet" RbO_2, where magnetic properties are due to partially filled oxygen p orbitals. We show that on-site interactions on the oxygen sites lead to a strong tendency towards the…
We study the effects of an orbital magnetic field on the Mott metal-insulator transition in the Hubbard-Hofstadter model. We demonstrate that sufficiently large magnetic fields induce a Mott insulator-to-metal phase transition supporting…
The doping and temperature dependent optical conductivity spectra of the quasi-two-dimensional Ca_{2-x}Sr_xRuO_4 (0.0=<x=<2.0) system were investigated. In the Mott insulating state, two electron correlation-induced peaks were observed…
Strong correlation effects, which are often associated to the approach to a Mott insulating state, in some cases may be observed even far from half-filling. This typically happens whenever the inter-site Coulomb repulsion induces a tendency…
Direct analytic continuation of the self energy is used to determine the effect of antiferromagnetic ordering on the spectral function and optical conductivity of a Mott insulator. Comparison of several methods shows that the most robust…
The electronic band structures, density of states plots and magnetic moments of Fe$_{2 }$MnSi, Fe$_{2 }$MnAl, and Co$_{2 }$MnGe are studied by using the first principles calculations. The FM solutions using LSDA without \textit{U} show the…
We study the magnetic interactions in Mott-Hubbard systems with partially filled $t_{2g}$-levels and with strong spin-orbit coupling. The latter entangles the spin and orbital spaces, and leads to a rich variety of the low energy…
Though most fermionic Mott insulators order at low temperatures, ordering is ancillary to their insulating behaviour. Our emphasis here is on disentangling ordering from the intrinsic strongly correlated physics of a doped half-filled band.…
BaFe2(PO4)2 is an unusual Ising insulating ferromagnet based on the Fe$^{2+}$ spin $S$ = 2 ion, the susceptibility of which suggests a large orbital component to the Fe local moment. We apply density functional theory based methods to…
An intriguing idea of spin-orbit Mott insulator has been proposed to explain magnetic insulating behavior in various iridates. This scenario relies on the strength of the spin-orbit coupling being comparable to electronic correlations, and…
Effects of Coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+DMFT(QMC) method. The calculation results show that LaOFeAs is in the regime of intermediate correlation strength with significant part of the…
By means of the first-principle calculations, we have investigated electronic, magnetic properties and correlation effects for the newly discovered layered oxyselenide Na2Fe2Se2O. Our results reveal that the electron correlations in the Fe…
We show that the interplay of a high density two-dimensional electron gas and localized electrons in a neighboring Mott insulator leads to kinetic magnetism unique to the Mott/band insulator interface. Our study is based upon a bilayer…
The magnetism of Sr$_2$F$_2$Fe$_2$OS$_2$ was examined through neutron powder diffraction and thermodynamic and transport measurements. Quasi-two-dimensional magnetic order develops below $T_N$ = 106(2) K with an in-plane correlation length…
A new model is proposed for the strong ferromagnetism associated with partially localized orbitals in the Fe16N2 metallic system which draws substantially from models of heavy fermion metals. We demonstrated that an unusual correlation…
The Hofstadter-Hubbard model captures the physics of strongly correlated electrons in an applied magnetic field, which is relevant to many recent experiments on Moir\'e materials. Few large-scale, numerically exact simulations exists for…
The effects of Hubbard-type on-site interactions on the BHZ model is studied in this paper for model parameters appropriate for the HgTe/CdTe quantum well. Within a simple mean field theory we search for plausible magnetic instabilities in…