Related papers: Magnetic ground state of coupled edge-sharing CuO_…
Using state-of-the-art first-principles calculations we have elucidated the complex magnetic and structural dependence of LaOFeAs upon doping. Our key findings are that (i) doping results in an orthorhombic ground state and (ii) there is a…
One of the interesting aspects of the CuO superconductors is that superconductivity is happening so close to the antiferromagnetic state. The nuclear magnetic resonance and the recent neutron scattering experiments clearly indicate that…
An exhaustive ground-state analysis of extended two-dimensional (2D) correlated spin-electron model consisting of the Ising spins localized on nodal lattice sites and mobile electrons delocalized over pairs of decorating sites is performed…
The effect of the spin-orbit coupling on the ground state properties of the square-lattice three-band Hubbard model with a single electron per site is studied by a generalized Hartree-Fock approximation. We calculate the full phase diagram…
We study the phase diagram of coupled spin-1/2 chains with bilinear and (chiral) three-spin exchange interactions in a magnetic field. The model is soluble on a one-parametric line in the space of coupling constants connecting the limiting…
In the light of recent interesting experimental work on MgV$_2$O$_4$ we employ the density functional theory to investigate the crucial role played by different interaction parameters in deciding its electronic and magnetic properties. The…
We investigate the electronic structure and magnetic properties of a $J_\text{eff} = 1/2$ iridate Ca$_4$IrO$_6$ and the implications of doping electrons and holes using ab initio density functional theory. Our calculations considering…
We develop a microscopic theory of finite-temperature spin-nematic orderings in three-dimensional spatially anisotropic magnets consisting of weakly-coupled frustrated spin-1/2 chains with nearest-neighbor and next-nearest-neighbor…
We determine the spin and charge orders in the ground state of the doped two-dimensional (2D) Hubbard model in its simplest form, namely with only nearest-neighbor hopping and on-site repulsion. At half-filling, the ground state is known to…
We study the ground state and the magnetization process of a spin-1/2 $J_1$-$J_2$ model with a plaquette structure by using various methods. For small inter-plaquette interaction, this model is expected to have a spin-gap and we computed…
Using first-principles electronic structure calculations based on the Nth order muffin tin orbital (NMTO)-downfolding technique, we derived the low-energy spin model for CuTe2O5. Our study reveals that this compound is a 2D coupled…
In view of the recent experimental reports of unexpected ferromagnetism in HfO$_{2}$ thin films, we carried out first principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of…
The electronic structures of the cubic and tetragonal $\mathrm{MnV}_2\mathrm{O}_4$ have been studied by using hybrid-exchange density functional theory. The computed electronic structure of the tetragonal phase shows an anti-ferro orbital…
We consider the Kondo-Hubbard model with ferromagnetic exchange coupling $% J_{H}$, showing that it is an approximate effective model for late transition metal-O linear systems. We study the dependence of the charge and spin gaps…
Exchange couplings are fundamental to our understanding of many physical phenomena in condensed matter physics and material science. Model systems provide a controlled environment to investigate such phenomena, effectively. In this study,…
We present an extensive comparative study of ground-state densities and pair distribution functions for electrons confined in two-dimensional parabolic quantum dots over a broad range of coupling strength and electron number. We first use…
In a frustrated J_1-J_2 chain with the nearest-neighbor ferromagnetic interaction J_1 and the next-nearest-neighbor antiferromagnetic interaction J_2, novel magnetic states such as a spin-nematic state are theoretically expected. However,…
We study theoretically the ultrafast spin dynamics of II-VI diluted magnetic semiconductors in the presence of spin-orbit interaction. Our goal is to explore the interplay or competition between the exchange $sd$-coupling and the spin-orbit…
To understand the collinear-magnetism-driven ferroelectricity in multiferroic Ca3CoMnO6 compound, we have established an elastic diatomic Ising spin-chain model with axial-next-nearest-neighbor interaction to describe its magnetoelectric…
The authors present a quantity termed charge-spin susceptibility, which measures the charge response to spin degrees of freedom in strongly correlated materials. This quantity is simple to evaluate using both standard density functional…