Related papers: Modeling Ferro- and Antiferromagnetic Interactions…
We report a theoretical study of the effects of electronic correlations, magnetic properties, and chemical bonding in the recently synthesized high-pressure orthorhombic phase of FeN$_2$ using the DFT+dynamical mean-field theory approach.…
Towards understanding the multi-orbital quantum antiferromagnetism in iron pnictides, effective spin couplings and spin fluctuation induced quantum corrections to sublattice magnetization are obtained in the $(\pi,0)$ AF state of a…
In this work, we investigate the microscopic origin of magnetism in $\mathrm{SrCoO_3}$ by incorporating electronic correlations within the dynamical mean-field theory (DMFT) framework. We note a remarkable agreement of the calculated…
A large class of correlated quantum materials feature strong Hund's coupling. Yet cold-atom quantum simulators have so far focused primarily on single-orbital Fermi-Hubbard systems near a Mott insulator. Here we show that repulsively…
We investigate electronic and magnetic structures of the Mn chains supported on the CuN surface using first-principle LSDA and LDA+U calculations. The isotropic exchange integrals and anisotropic Dzyaloshinskii-Moriya interactions between…
There are two views of antiferromagnets. The first proceeds from atomic physics, which predicts that atoms with unpaired electrons develop magnetic moments. In a solid, the coupling between moments on nearby ions then yields…
We study the electronic and magnetic properties of L1$_0$ phase of FeNi, a perspective rare-earth-free permanent magnet, by using a combination of density functional and dynamical mean-field theory. Although L1$_0$ FeNi has a slightly…
We present a theoretical study of spin-dependent transport through molecular wires bridging ferromagnetic metal nanocontacts. We extend to magnetic systems a recently proposed model that provides a em quantitative explanation of the…
The exchange interaction between 5d electrons in t$_{2g}$ orbitals is derived in the J-J coupling scheme which is the appropriate basis in the case of strong spin-orbit interaction. From simple calculations, it is found that ferromagnetic…
We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange interactions in the series of orthorhombic rare-earth…
It is found that all the zigzag chains except the nonmagnetic (NM) Ni and antiferromagnetic (AF) Fe chains which form a twisted two-legger ladder, look like a corner-sharing triangle ribbon, and have a lower total energy than the…
We study diffusive transport through ferromagnet - normal metal - ferromagnet (F-N-F) systems, with arbitrary but fixed magnetization directions of the ferromagnetic reservoirs and orientations of a magnetic field applied to the normal…
A clear physics picture of TbBaCo$_{2}$O$_{5.5}$ is revealed on the basis of density functional theory calculations. An antiferromagnetic (AFM) superexchange coupling between the almost high-spin Co$^{3+}$ ions competes with a ferromagnetic…
Strong electron correlations lie at the origin of transformative phenomena such as colossal magneto-resistance and high-temperature superconductivity. Already near room temperature, doped copper oxide materials display remarkable features…
Altermagnetism represents a novel class of collinear antiferromagnetism exhibiting non-relativistic spin splitting without net magnetization, driven by lattice symmetry rather than spin-orbit coupling (SOC). Here, we introduce a…
Recently, orthorhombic CuMnAs has been proposed to be a magnetic material where topological fermions exist around the Fermi level. Here we report the magnetic structure of the orthorhombic Cu0.95MnAs and Cu0.98Mn0.96As single crystals.…
Metallic quantum ferromagnets in the absence of quenched disorder are known to generically undergo a first-order quantum phase transition, avoiding the quantum critical point that had originally been expected. This is due to soft modes in…
The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms/groups. Here we show that explicit consideration of…
By using the method of density-matrix renormalization-group to solve the different spin-spin correlation functions, the nearest-neighbouring entanglement(NNE) and next-nearest-neighbouring entanglement(NNNE) of one-dimensional alternating…
We present a first-principles study of the effect of 3$d$ transition metal intercalation on the magnetic properties of the 2H-NbS$_2$ system, using spin-resolved density functional theory calculations to investigate the electronic structure…