相关论文: Spin state of negative charge-transfer material Sr…
We present a microscopic model for the anisotropic exchange interactions in Sr$_{2}$IrO$_{4}$. A direct construction of Wannier functions from first-principles calculations proves the $j_{\mathrm{eff}}$=1/2 character of the spin-orbit…
Using density functional theory we investigate the lattice instability and electronic structure of recently discovered ferroelectric metal LiOsO$_3$. We show that the ferroelectric-like lattice instability is related to the Li-O distortion…
In contrast to the previous reports that the divalent perovskite SrCrO$_3$ was believed to be cubic structure and nonmagnetic metal, recent measurements suggest coexistence of majority tetragonally distorted weak antiferromagnetic phase and…
We study the spin dynamics in a 3D quantum antiferromagnet on a face-centered cubic (FCC) lattice. The effects of magnetic field, single-ion anisotropy, and biquadratic interactions are investigated using linear spin wave theory with spins…
SrRuO3 (SRO) is an itinerant ferromagnet with strong coupling between the charge, spin, and lattice degrees of freedom. This strong coupling suggests that the electronic and magnetic behaviors of SRO are highly susceptible to changes in the…
We present the first ab initio density functional theory study of the oxygen-terminated Cr2O3 (0001) surface within the local spin-density approximation (LSDA). We find that spin plays a critical role for even the most basic properties of…
The magnetization-density distribution in the metallic ferromagnet SrRuO$_3$ was studied by means of polarized neutron diffraction. The analyzes by multipole refinements and by the maximum entropy method consistently reveal a strong…
The magnets are typically classified into Stoner and Heisenberg type, depending on the itinerant or localized nature of the constituent magnetic moments. In this work, we investigate theoretically the behaviour of the magnetic moments of…
In view of the recent experimental reports of unexpected ferromagnetism in HfO$_{2}$ thin films, we carried out first principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of…
Magnetic susceptibility and specific heat versus temperature measurements on polycrystalline samples of Sr3Cr2O8 and the isostructural, nonmagnetic compound Sr3V2O8 are reported. A Curie-Wiess fit to the high-temperature susceptibility data…
Over the past decade, utilizing spin currents in the linear response of electric field to manipulate magnetization states via spin-orbit torques (SOTs) is one of the core concepts for realizing a multitude of spintronic devices. Besides the…
We have investigated the structural and magnetic transitions in CsCoO$_2$ using calorimetric measurements, neutron powder diffraction (NPD), density functional theory (DFT) calculations and muon-spin relaxation ($\mu$SR) measurements.…
Contradictory results on the ferroelectric response of type II multiferroic YBaCuFeO$_{5}$, in its incommensurate phase, has of late, opened up a lively debate. There are ambiguous reports on the nature of the spiral magnetic state. Using…
Given that energy scales associated with crystal field splitting, spin orbit coupling and coulomb correlations in iridates are comparable, hence leading to exotic properties, we investigate the physical properties of orthorhombic SrIrO3…
Very thick films of BiCrO$_3$ have been grown on a SrTiO$_3$ substrate, maintaining a tetragonal lattice up to thicknesses of 14,000\AA. Assuming we can treat films of this thickness as bulk crystals, we first calculated the experimentally…
Spin-orbit coupling is a key to realize many novel physical effects in condensed matter physics. Altermagnetic materials possess the duality of real-space antiferromagnetism and reciprocal-space ferromagnetism. It has not been explored that…
The investigations of the interconnection between micro- and macroscopic properties of materials hosting noncollinear antiferromagnetic ground states are challenging. These forefront studies are crucial for unraveling the underlying…
The electronic structure of the perovskite LaCoO$_3$ for different spin states of Co ions was calculated in the LDA+U approach. The ground state was found to be a nonmagnetic insulator with Co ions in a low-spin state. Somewhat higher in…
To understand the collinear-magnetism-driven ferroelectricity in multiferroic Ca3CoMnO6 compound, we have established an elastic diatomic Ising spin-chain model with axial-next-nearest-neighbor interaction to describe its magnetoelectric…
We have synthesized Sr$_6$Co$_5$O$_{15}$, a quasi-one-dimensional oxide, measured its magnetic properties and calculated its electronic structure by ab initio techniques. We have found strong evidence for its electronic and magnetic…