Related papers: Low-temperature magnetic ordering and structural d…
We present the results of our theoretical study on the effects of geometrical frustration and the interplay between spin and orbital degrees of freedom in vanadium spinel oxides $A$V$_2$O$_4$ ($A$ = Zn, Mg or Cd). Introducing an effective…
Among the numerous 2D system that can be prepared via exfoliation, iron phosphorus trisulfide (FePS3) attracts a lot of attention recently due to its broad-range photoresponse, its unusual Ising-type magnetic order and possible applications…
Double perovskite-based magnets wherein frustration and competition between emergent degrees of freedom are at play can lead to novel electronic and magnetic phenomena. Herein, we report the electronic structure and magnetic properties of…
The spin-1/2 Cu2+ ions in beta-Cu3V2O8 occupy the sites of a Kagome-staircase lattice, an anisotropic variant of the Kagome net: buckled layers and imbedded plaquettes of three edge-shared CuO4 squares break the ideal Kagome symmetry.…
The magnetotransport properties were studied in hundreds of micrometer length double-wall carbon nanotubes (DWCNT) bundles. Above 15 K the resistance shows an ohmic behavior and its temperature dependence is well described using the…
Structural and thermodynamic properties of single-crystalline UNi$_{1-x}$Ge$_2$ with $x$\,=\,0.66 have been investigated by measuring magnetization, specific heat, and thermal expansion over a wide range of temperatures and magnetic fields.…
{\alpha}-SrCr2O4 has a triangular planar lattice of d3 Cr3+ made from edge sharing CrO6 octahedra; the plane shows a very small orthorhombic distortion from hexagonal symmetry. With a Weiss temperature of -596 K and a three-dimensional…
In complex materials observed electronic phases and transitions between them often involves coupling between many degrees of freedom whose entanglement convolutes understanding of the instigating mechanism. Metal-insulator transitions are…
We calculate electronic structures of a high-Tc iron-based superconductor Sr2VFeAsO3 by LDA+U method. We assume a checker-board antiferromagnetic order on blocking layers including vanadium and strong correlation in d-orbits of vanadium…
We study a layered three-dimensional heterostructure in which two types of Kondo insulators are stacked alternatingly. One of them is the topological Kondo insulator SmB 6 , the other one an isostructural Kondo insulator AB 6 , where A is a…
The rise of high-entropy oxides as a major functional materials design principle in recent years has prompted us to investigate how compositional disorder affects long-range magnetic ordering in double perovskite oxides. Since ferromagnetic…
The low-doped magnetic perovskite La_{7/8}Sr_{1/8}MnO_3 undergoes within the paramagnetic-semiconducting phase a first-order structural transition due to antiferrodistorsive ordering of Jahn-Teller deformed MnO_6 octahedra. This allows to…
We report the enhancement of N\'eel temperature of Cr2O3 by replacing 50% of Cr by Fe prepared by sol-gel method. The structural analysis by neutron diffraction has revealed that FeCrO3 belongs to a corundum structure (R-3c space group)…
For temperatures T well above the ordering temperature T*=3.0+-0.2K the magnetic properties of the metal-organic material Mn[C10H6(OH)(COO)]2x2H20 built from Mn^2+ ions and 3-hydroxy-2-naphthoic anions can be described by a S=5/2 quantum…
Phase diagram of Na$_x$CoO$_2$ (x $\gtrsim$ 0.71) has been reinvestigated using electrochemically fine tuned single crystals. Both phase separation and staging phenomena as a result of sodium multi-vacancy cluster ordering have been found.…
The geometrically frustrated magnet Ni3V2O8 undergoes a series of competing magnetic ordering at low temperatures. Most importantly, one of the incommensurate phases has been reported to develop a ferroelectric correlation caused by spin…
We use the density functional theory and lattice dynamics calculations to investigate the properties of potassium superoxide KO$_2$ in which spin, orbital, and lattice degrees of freedom are interrelated and determine the low-temperature…
We present a comprehensive computational study of the phase diagram of the frustrated S=1/2 Heisenberg antiferromagnet on the honeycomb lattice, with second-nearest (J2) and third-neighbor (J3) couplings. Using a combination of exact…
The magnetic and magnetocaloric (MCE) properties were studied in a stuffed honeycomb antiferromagnet GdInO3 polycrystalline. No long-range magnetic ordering was observed with only a sharp upturn in the temperature dependent magnetization…
The electronic, magnetic and orbital structures of KCrF_3 are determined in all its recently identified crystallographic phases (cubic, tetragonal, and monoclinic) with a set of {\it ab initio} LSDA and LSDA+U calculations. The…