Related papers: Non-trivial order parameter in Sr$_{2}$IrO$_{4}$
Sr2IrO4 hosts a novel Jeff =1/2 Mott state and quasi-two-dimensional antiferromagnetic order, providing a unique avenue of exploring emergent states of matter and functions that are extraordinarily sensitive to any structural variations.…
The problem of importance of strong correlations for the electronic structure, transport and magnetic properties of half--metallic ferromagnetic CrO_2 is addressed by performing density functional electronic structure calculations in the…
Unconventional superconductors with nearly degenerate pairing states are rare. CeRh$_2$As$_2$ has recently emerged as one of the few existing multi-phase superconductors. It exhibits a first-order phase transition between two distinct…
I study the electronic structure and magnetism of postperovskite CaIrO$_3$ using first-principles calculations. The density functional calculations within the local density approximation without the combined effect of spin-orbit coupling…
Ir-based materials have drawn much attention due to the observation of insulating phase believed to be driven by spin-orbit coupling while Ir 5$d$ states are expected to be weakly correlated due to their large orbital extensions. IrO$_2$, a…
In many materials, ordered phases and their order parameters are easily characterized by standard experimental methods. "Hidden order" refers to a phase transition in which an ordered state emerges without such an easily detectable order…
The two-dimensional (2D) material Cr$_2$Ge$_2$Te$_6$ is a member of the class of insulating van der Waals magnets. Here, using high resolution angle-resolved photoemission spectroscopy in a detailed temperature dependence study, we identify…
We present first principles calculations of the magnetic and orbital properties of Ba$_2$NaOsO$_6$ (BNOO), a 5$d^1$ Mott insulator with strong spin orbit coupling (SOC) in its low temperature emergent quantum phases. Our computational…
The current progress in describing rare-earth-based magnets' electronic structure and magnetic properties is discussed. We use several currently popular electronic structure methods to show the typical values of critical parameters that…
The ordering of Na ions in Na$_x$CoO$_2$ is investigated systematically by combining detailed density functional theory (DFT) studies with model calculations. Various ground state ordering patterns are identified, and they are in excellent…
Type-II multiferroics, in which the magnetic order breaks inversion symmetry, are appealing for both fundamental and applied research due their intrinsic coupling between magnetic and electrical orders. Using first-principles calculations…
We investigate the electronic structure of BaIrO3, an interesting compound exhibiting charge density wave transition in its insulating phase and ferromagnetic transition at the same temperature, using full potential linearized augmented…
We report measurements on Ti$_4$MnBi$_2$, where a crystal structure involving linear chains of Mn ions suggests one-dimensional magnetic character. The electrical resistivity is metallic, consistent with the results of electronic structure…
Double-perovskite oxides that contain both 3d and 5d transition metal elements have attracted growing interest as they provide a model system to study the interplay of strong electron interaction and large spin-orbit coupling (SOC). Here,…
Single crystal neutron diffraction reveals two distinct components to the magnetic ordering in geometrically frustrated SrEr$_2$O$_4$. One component is a long-range ordered ${\bf k}=0$ structure which appears below $T_N = 0.75$ K. Another…
A rare combination of strong spin-orbit coupling and electron-electron correlations makes the iridate Mott insulator Sr$_2$IrO$_4$ a promising host for novel electronic phases of matter. The resemblance of its crystallographic, magnetic and…
We report the electronic structure of monoclinic CuO as obtained from first principles calculations utilizing density functional theory plus effective Coulomb interaction (DFT + U) method. In contrast to standard DFT calculations taking…
Magnetic insulators are often antiferromagnetic (AFM) and layered AFM compounds usually show low ordering temperature. On the other hand, layered ferromagnetic (FM) insulators with high-TC are very rare although they could be quite useful…
Sr$_2$RuO$_4$ has stood as the leading candidate for a spin-triplet superconductor for 26 years. Recent NMR experiments have cast doubt on this candidacy, however, and it is difficult to find a theory of superconductivity that is consistent…
Layered 5$d$ transition iridium oxides, Sr$_2$(Ir,Rh)O$_4$, are described as unconventional Mott insulators with strong spin-orbit coupling. The undoped compound, Sr$_2$IrO$_4$, is a nearly ideal two-dimensional pseudospin-$1/2$ Heisenberg…