Related papers: Orbital and magnetic ordering in single-layer FePS…
Fe$_{1+y}$Te with $y \lesssim 0.05$ exhibits a first-order phase transition on cooling to a state with a lowered structural symmetry, bicollinear antiferromagnetic order, and metallic conductivity, $d\rho/dT > 0$. Here, we study samples…
Magnetic ordering in the two-dimensional limit has been one of the most important issues in condensed matter physics for the past several decades. The recent discovery of new magnetic van der Waals materials heralds a much-needed easy route…
We report on optical measurements of the 1D Heisenberg antiferromagnet KCuF3. The crystal-field excitations of the Cu2+ ions have been observed and their temperature dependence can be understood in terms of magnetic and exchange-induced…
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…
The van der Waals bonded transition metal phosphorous trichalcogenides FePS$_3$, NiPS$_3$ and MnPS$_3$ have recently attracted renewed attention due to the possibility of exfoliating them into their monolayers. Although the three compounds…
By combining DFT-based computational analysis and symmetry constraints in terms of group-subgroup relations, we analysed the formation of the native crystalline structure of loellingite FeAs$_2$. We showed that the ground state of the…
Charge ordering in the low-temperature monoclinic structure of iron oxoborate (Fe2OBO3) is investigated using the local spin density approximation (LSDA)+U method. While the difference between t_{2g} minority occupancies of Fe^{2+} and…
Nowdays, multiferroic materials with magnetoelectric coupling have many real-world applications in the fields of novel memory devices. It is challenging is to create multiferroic materials with strongly coupled ferroelectric and…
In present study, the magnetic structure and spin reorientation of mixed doped orthoferrite Nd$_{0.5}$Dy$_{0.5}$FeO$_3$ have been investigated. Similar to both parent compounds (NdFeO$_3$ and DyFeO$_3$), the magnetic structure of Fe$^{3+}$…
Recently it was discovered that van der Waals-bonded magnetic materials retain long range magnetic ordering down to a single layer, opening many avenues in fundamental physics and potential applications of these fascinating materials. One…
The recent discovery of unconventional surface state pairs, which give rise to Fermi arcs and spin textures, in antiferromagnetically ordered NdBi raised the interest in rare-earth monopnictides. Several scenarios of antiferromagnetic order…
The rare-earth based ternary intermetallic compounds $R_2TX_3$ ($R$ = rare-earth, $T$ = transition-metal, $X$ = Si, Ge, Ga, In) have attracted considerable interest due to a wide range of interesting low temperature properties. Here we…
The electronic structure and magnetism in the sodium nickelate NaNiO_2 in the low-temperature phase is studied from density-functional calculations using the linear muffin-tin orbitals method. An antiferromagnetic solution with a magnetic…
The orbital, lattice, and spin ordering phenomena in KCuF3 are investigated by means of LDA+U calculations, based on ab-initio pseudopotentials.We examine the Cu-3d orbital ordering and the associated Jahn-Teller distortion in several…
We present a systematic density functional theory (DFT) plus Hubbard $U$ study of structural trends and the stability of different magnetically ordered states across the rare-earth nickelate series, $R$NiO$_3$, with $R$ from Lu to La. In…
This work is devoted to the analysis of orbital patterns and related to them interatomic magnetic interactions in centrosymmetric monoclinic structures of BiMnO$_3$, which have been recently determined experimentally. First, we set up an…
Interfacial magnetism stimulates the discovery of giant magnetoresistance and spin-orbital coupling across the heterointerfaces, facilitating the intimate correlation between spin transport and complex magnetic structures. Over decades,…
Antiferromagnetic (AF) order of U$_{2}$Pt$_{6}$Ga$_{15}$ with the ordering temperature $T_{\rm N}$ = 26 K was investigated by resonant X-ray scattering and neutron diffraction on single crystals. This compound possesses a unique crystal…
The layered metal phosphorous trisulfide FePS$_3$ is reported to be a Mott insulator at ambient conditions and to undergo structural and insulator-metal phase transitions under pressure. However, the character of the resulting metallic…
Resonant x-ray scattering at the Dy $M_5$ and Ni $L_3$ absorption edges was used to probe the temperature and magnetic field dependence of magnetic order in epitaxial LaNiO$_3$-DyScO$_3$ superlattices. For superlattices with 2 unit cell…