Related papers: Orbital Ordering in Fe$_{1-x}$Mn$_x$V$_2$O$_4$: A …
Recent measurements on MgV$_2$O$_4$ single crystal have reignited the debate on the role of spin-orbit (SO) coupling in dictating the orbital order in Vanadium spinel systems. Density functional theory calculations were performed using the…
Effects of possible orbital order in magnetic properties of two-dimensional spin gap system for CaV$_4$O$_9$ are investigated theoretically. After analyzing experimental data, we show that single orbital models assumed in the literature are…
Based on density functional calculations, we propose a possible orbital ordering in MnV2O4 which consists of orbital chains running along crystallographic a and b directions with orbitals rotated alternatively by about 45 degrees within…
In view of the recent experimental predictions of a weak structural transition in CoV$_{2}$O$_{4}$ we explore the possible orbital order states in its low temperature tetragonal phases from first principles density functional theory…
In view of recent controversy regarding the orbital order in the frustrated spinel ZnV2O4, we analyze the orbital and magnetic groundstate of this system within an ab initio density functional theory approach. While LDA+U calculations in…
We investigate the effects of the $\sqrt{5}\times\sqrt{5}$ Fe vacancy ordering on the orbital and magnetic order in (K,Tl,Cs)$_y$Fe$_{2-x}$Se$_2$ using a three-orbital ($t_{2g}$) tight-binding Hamiltonian with generalized Hubbard…
Based on density functional calculations, we report on the orbital order and microscopic magnetic model of FeNCN, a prototype compound for orbital-only models. Despite having a similar energy scale, the spin and orbital degrees of freedom…
Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (= Cr, Mn, Fe, Co and…
Motivated by the recent low-tempearture experiments on bulk FeSe, we study the electron correlation effects in a multiorbital model for this compound in the nematic phase using the U(1) slave-spin theory. We find that a finite nematic order…
The magnetic and orbital orders for the bilayer manganites in the doping region $0.5 < x <1.0$ have been investigated from a model that incorporates the two $e_g$ orbitals at each Mn site, the inter-orbital Coulomb interaction and lattice…
The spin and orbital ordering in Dy$_{1-x}$Tb$_{x}$VO$_3$ (x\,=\,0 and 0.2) was studied by measuring x-ray powder diffraction, magnetization, specific heat, and neutron single crystal diffraction. The results show that G-OO/C-AF and…
We found that the conventional model of orbital ordering of 3x^2-r^2/3y^2-r^2 type in the eg states of La_0.5Sr_1.5MnO_4 is incompatible with measurements of linear dichroism in the Mn 2p-edge x-ray absorption, whereas these eg states…
Using the multi-band $d-p$ model and unrestricted Hartree-Fock approximation we investigate the electronic structure and spin-orbital order in three-dimensional VO$_3$ lattice. The main aim of this investigation is testing if simple $d-p$…
We have analyzed the experimental evidence of charge and orbital ordering in La0.5Sr1.5MnO4 using first principles band structure calculations. Our results suggest the presence of two types of Mn sites in the system. One of the Mn sites…
Orbital-related physics attracts growing interest in condensed matter research, but direct real-space access of the orbital degree of freedom is challenging. Here we report a first, real-space, imaging of a surface- assisted orbital ordered…
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…
Different types of order are discussed in the context of strongly correlated transition metal oxides, involving pure compounds and $3d^{3}-4d^{4}$ and $3d^{2}-4d^{4}$ hybrids. Apart from standard, long-range spin and orbital orders we…
Evolution of composite spin-orbital order and coupled spin-orbital excitations is studied in a variety of $d^4$ systems with $n$=$4$ electrons in the $t_{2g}$ orbital sector using the generalised self-consistent + fluctuations approach for…
Motivated by the energetic advantage of achieving coherent enhancement of effective spin-dependent interactions through approximate nesting, we propose specific forms of spin ordering, whose form varies over the Fermi surface, for the…
We analyze the metallic (pi,0) antiferromagnetic state of a five-orbital model for iron superconductors. We find that with increasing interactions the system does not evolve trivially from the pure itinerant to the pure localized regime.…