Related papers: Issues with J-dependence in the LSDA+U method for …
We report a method for determining the spatial dependence of the magnetic exchange coupling, $dJ/dr$, from magnetostriction measurements of a quantum magnet. The organic Ni $S = 1$ system NiCl$_2$-4SC(NH$_2$)$_2$ exhibits lattice…
In this work, we try to understand the inconsistency reported by [Yaresko, Phys. Rev. B. {\bf 77}, 115106 (2008)] in the theoretically estimated nature and the variation of magnitude of nearest neighbour exchange coupling constant…
At the ultrafast limit of optical spin manipulation is the theoretically predicted phenomena of optical intersite spin transfer (OISTR), in which laser induced charge transfer between the sites of a multi-component material leads to control…
In this article, we propose an energy functional at the level of DFT+U+V that allows us to compute self-consistently the values of the on-site interaction, Hubbard U and Hund J, as well as the intersite interaction V. This functional…
We have studied magnetotransport properties of a high-mobility two-dimensional electron system subject to weak electric fields. At low magnetic field $B$, the differential resistivity acquires a correction $\delta r \propto -\lambda^2…
Electronic structure calculations obtained with an approach with density functional theory with an enhanced local Coulomb interaction, DFT+$U$, are presented for the relativistic magnetic insulator Sr$_{2}$IrO$_{4}$. The results are in…
An in-depth analysis of Zn/Al doped nickel ferrites grown by reactive magnetron sputtering is relevant due to their promising characteristics for applications in spintronics. The material is insulating and ferromagnetic at room temperature…
The magnetic properties of the van der Waals magnetic topological insulators MnBi$_2$Te$_4$ and MnBi$_4$Te$_7$ are investigated by magneto-transport measurements. We evidence that the relative strength of the inter-layer exchange coupling J…
The effects of finite temperature in transport through nanoscopic systems exhibiting uniaxial magnetic anisotropy D, such as molecular magnets, adatoms, or quantum dots side-coupled to a large spin are analyzed in the Kondo regime. The…
Nd-Fe-B magnets are the most widely used high performance magnets in the world today, and remain the subject of both experimental and computational research aimed at understanding and optimizing them. Atomistic spin dynamics (ASD) is one…
Motivated by the importance of non-collinear and non-coplanar magnetic phases in determining various electrical properties of magnetic materials, we investigate the phase diagrams of the extended Hubbard model on anisotropic triangular…
We study the exchange constants of MnV$_2$O$_4$ using magnetic force theorem and local spin density approximation of density functional theory supplemented with a correction due to on-site Hubbard interaction U. We obtain the exchanges for…
By means of the density matrix renormalization group (DMRG) method, the magnetic properties of the J-J-J$^{\prime}$ quantum Heisenberg chains with spin $S=1/2$, 1, 3/2 and 2 in the ground states are investigated in the presence of a…
The development of new-generation permanent magnets is based on experimental efforts and innovative theoretical tools for modeling magnetic properties. Magnetocrystalline anisotropy energy (MAE) - one of the main intrinsic properties of…
We derive ab inito exchange parameters for general non-collinear magnetic configurations, in terms of a multiple scattering formalism. We show that the general exchange formula has an anisotropic-like term even in the absence of spin-orbit…
We present an approach based on the dynamical mean field theory which is able to give the excitation spectrum of a triply degenerate Hubbard model with a Hund's exchange invariant under spin rotation. The lattice problem can be mapped onto…
With the advent of nonrelativistic spin splitting in collinear compensated antiferromagnets, several candidate materials have also been proposed, among which the family of transition-metal difluorides stands out as a prominent example.…
NiAs-type compounds such as CrSb and MnTe host $g$-wave altermagnet (AM) state. In order to search other possible unconventional magnets in this system, we present a global magnetic phase diagram based on a classical $J_1$-$J_2$-$J_3$…
We present a modified version of the Judd-Ofelt theory, which describes the intensities of f-f transitions for trivalent lanthanide ions (Ln$^{3+}$) in solids. In our model, the properties of the dopant are calculated with well-established…
We study the effects of external magnetic field on the properties of an ordered Heisenberg antiferromagnet with the Dzyaloshinskii-Moriya (DM) interaction. Using the spin-wave theory quantum correction to the energy, on-site magnetization,…