Related papers: Electronic and magnetic properties of a quasi-one-…

Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…

A series of polycrystalline samples of Sr2-xIrO4 have been synthesized by a solid-state reaction method. The crystal structure of this doped system can be explained on the basis of the extended nature of 5d electrons and strontium vacancies…

Using first-principles calculations, we studied Mn$_2$RuZ (Z=Al, Ga, Si, Ge) and their heterojunctions with MgO along (001) direction. All these alloys possess Hg$_2$CuTi-type inverse Heusler alloy structure and ferrimagnetic ground state.…

We report a comprehensive neutron scattering study on the spin excitations in the magnetic Weyl semimetal Co$_3$Sn$_2$S$_2$ with quasi-two-dimensional structure. Both in-plane and out-of-plane dispersions of the spin waves are revealed in…

Motivated by an experimental report of iridate superlattices, we performed first-principle electronic structure calculations for SrIrO$_3$/SrTiO$_3$. Heterostructuring causes SrIrO$_3$ to become Sr$_2$IrO$_4$-like, and the system has the…

We present a theoretical study of the structure-property correlation in gallium ferrite, based on the first principles calculations followed by a subsequent comparison with the experiments. Local spin density approximation (LSDA+U) of the…

Here we have performed detailed first principles calculations for the electronic structure and magnetic properties of Ba$_6$Cr$_2$S$_{10}$ to study the origin of the anti-ferromagnetic exchange interaction between spins on Cr ions for the…

We present the electronic structure of Sr_{1-(x+y)}La_{x+y}Ti_{1-x}Cr_{x}O_{3} investigated by high-resolution photoemission spectroscopy. In the vicinity of Fermi level, it was found that the electronic structure were composed of a Cr 3d…

There has been a rapidly growing interest on the interplay between spin-orbit coupling (SOC) and Hubbard interaction U in correlated materials. A current consensus is that the stronger the SOC, the smaller is the critical interaction Uc…

A burning question in the emerging field of spin-orbit driven insulating iridates, such as Na2IrO3 and Li2IrO3 is whether the observed insulating state should be classified as a Mott-Hubbard insulator derived from a half-filled relativistic…

Using the first-principles density functional approach, we investigate a material Pr$_2$MgIrO$_6$ (PMIO) of double perovskite structure synthesized recently. According to the calculations, PMIO is a magnetic Mott-Hubbard insulator…

In this work we study the possible occurrence of topological insulators for 2D fermions of high spin. They can be realized in cold fermion systems with ground-state atomic spin $F>\tfrac{1}{2}$, if the optical potential is properly…

We theoretically investigate the electronic band structures and magnetic properties of ilmenites with edge-sharing IrO$_6$ honeycomb layers, $A$IrO$_3$ with $A=$ Mg, Zn, and Mn, in comparison with a collinear antiferromagnet MnTiO$_3$. The…

This article contains a theoretical overview of the physical properties of antiferromagnetic Mott insulators in spatial dimensions greater than one. Many such materials have been experimentally studied in the past decade and a half, and we…

A systematic density functional theory (DFT)+U study is conducted to investigate the electron correlation and spin-orbit coupling (SOC) effects in US3 and USe3. Our calculations reveal that inclusion of the U term is essential to get energy…

The quasi-one-dimensional Ising spin chain system $\alpha$-CoV$_2$O$_6$ is considered to exhibit fascinating magnetic properties at lower temperatures. We comprehensively study magnetic properties and lattice dynamics using a combination of…

We report conductance measurements of a ballistic one-dimensional (1D) wire defined in the lower two-dimensional electron gas of a GaAs/AlGaAs double quantum well. At low temperatures there is an additional structure at $0.7(2e^2/h)$ in the…

Results of Co and Ni substituted AlN in the zinc blende phase are presented. For spin up states the hybridized N-2p and Co/Ni-3d states form the valance bands with a bandgap around the Fermi level for both materials, while in the case of…

Mott physics is characterized by an interaction-driven metal-to-insulator transition in a partially filled band. In the resulting insulating state, antiferromagnetic orders of the local moments typically develop, but in rare situations no…

The impact of spin-orbit interactions in NdNiO2/SrTiO3(001) and NdNiO2/KTaO3(001) is explored by performing density functional theory simulations including a Coulomb repulsion term. Polarity mismatch drives the emergence of an interfacial…