Related papers: Non-trivial order parameter in Sr$_{2}$IrO$_{4}$

Here, we report an investigation of structural, magnetic and electronic properties in Y-doped layered iridate (Sr$_{1-x}$Y$_x$)$_2$IrO$_4$ ($x$ $\leq$ 0.1). The parent Sr$_2$IrO$_4$ is a well-studied spin-orbit coupling (SOC) induced…

The electronic structure of the low-temperature (LT) monoclinic magnetite, Fe3O4, is investigated using the local spin density approximation (LSDA) and the LSDA+U method. The self-consistent charge ordered LSDA+U solution has a pronounced…

Novel electronic states resulting from entangled spin and orbital degrees of freedom are hallmarks of strongly correlated f-electron systems. A spectacular example is the so-called 'hidden-order' phase transition in the heavy-electron metal…

This article presents the results of several magnetic phases of doped La$_{2-x}$Sr$_x$CuO$_4$ using density-functional theory with an added Hubbard term (DFT+U). Doping factors from $x=0$ to 0.25 were examined. We found that a bond centered…

The heavy fermion compound URu$_2$Si$_2$ continues to attract great interest due to the unidentified hidden order it develops below 17.5K. The unique Ising character of the spin fluctuations and low temperature quasiparticles is well…

By means of the LSDA+U method and the Green function method, we investigate the electronic and magnetic properties of the new material of Sr$_8$CaRe$_3$Cu$_4$O$_{24}$. Our LSDA+U calculation shows that this system is an insulator with a net…

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…

Using the DFT+dynamical mean-field theory method we revisit the pressure-temperature phase diagram of the prototypical correlated insulator NiO. We study the pressure-induced evolution of the electronic structure, magnetic state, and…

La doped SrFeO$_{3}$, La$_{1/3}$Sr$_{2/3}$FeO$_{3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic and charge ordering states along with the Fe-O bond disproportionation below a critical temperature near…

We study quadrupole orders in heavy-fermion compound PrIr$_2$Zn$_{20}$ under magnetic fields on the basis of the Landau theory. Assuming $E_g$ electric quadrupolar orders in the cubic symmetry with the ordering wavenumber at the L points in…

We report unusual effects of nonmagnetic impurities on the spin-triplet superconductor Sr2RuO4. The substitution of nonmagnetic Ti4+ for Ru4+ induces localized-moment magnetism characterized by unexpected Ising anisotropy with the easy axis…

Materials with strongly correlated electrons exhibit physical properties that are often difficult to predict as they result from the interactions of large numbers of electrons combined with several quantum degrees of freedom. The layered…

We report a single-crystal neutron diffraction study of the layered $\rm Sr_2IrO_4$. This work unambiguously determines the magnetic structure of the system and reveals that the spin orientation rigidly tracks the staggered rotation of the…

We develop a fully microscopic, statistical mechanics approach to study phase transitions in Ising systems with competing interactions at different scales. Our aim is to consider orientational and positional order parameters in a unified…

The magnetic phases of hexagonal perovskites RMnO_3 (R=Ho, Er, Tm, Yb, Sc, Y) are analysed using group theory and the Landau theory of phase transitions. The competition between various magnetic order parameters is discussed in the context…

The weak antiferromagnetism of URu${}_{2}$Si${}_{2}$ is discussed on the basis of a duality model which takes into account salient features of both itinerant fermions and "localized" component of spin degrees of freedom. The problem is…

The body centered tetragonal structure of Sr_2RuO_4 gives rise to umklapp scattering enhanced inter-plane pair correlations in the d_{yz} and d_{zx} orbitals. Based on symmetry arguments, Hund's rule coupling, and a bosonized description of…

Materials with a 5d4 electronic configuration are generally considered to have a nonmagnetic ground state (J=0). Interestingly, Sr2YIrO6 (Ir5+ having 5d4 electronic configuration) was recently reported to exhibit long-range magnetic order…

SrRu2O6 is a layered honeycomb lattice material with an extraordinarily high magnetic ordering temperature. We investigated this material using density functional calculations. We find that the energy scales for moment formation and…

We have performed a systematic first-principles investigation to calculate the structural, electronic, and magnetic properties of PbCrO$_{3}$, CrPbO$_{3}$ as well as their equiproportional combination. The local density approximation…