Related papers: Issues with J-dependence in the LSDA+U method for …
We present magnetic properties of the three-band Hubbard model in the para- and antiferromagnetic phase on a hypercubic lattice calculated with the Dynamical Mean-Field Theory (DMFT). To allow for solutions with broken spin-symmetry we…
Binary neutron star mergers can produce extreme magnetic fields, some of which can lead to strong magnetar-like remnants. While strong magnetic fields have been shown to affect the dynamics of outflows and angular momentum transport in the…
The mechanisms of magnetoelastic interaction in MnF$_2$ are studied using the method of acoustoelectric transformation. The temperature dependence of the piezomagnetic coupling coefficient and its anisotropy are determined in the…
Ground state magnetic properties of the spin-dependent Falicov-Kimball model (FKM) are studied by incorporating the intrasite exchange correlation J (between itinerant $d$- and localized $f$- electrons) and intersite (superexchange)…
First principles studies of multiferroic materials, such as bismuth ferrite (BFO), require methods that extend beyond standard density functional theory (DFT). The DFT+U method is one such extension that is widely used in the study of BFO.…
We show that in the antiferromagnetic ferroelectric BaNiF4 the Dzyaloshinskii-Moriya interaction leads to a small canting of the magnetic moments, away from the easy axis, resulting in a noncollinear magnetic structure. The canting…
Density functional theory (DFT) calculations are used to investigate the electronic and magnetic structures of a two-dimensional (2D) monolayer Li$_{2}$N. It is shown that bulk Li$_{3}$N is a non-magnetic semiconductor. The…
Dynamical properties of the lattice structure was studied by optical spectroscopy in ACr2O4 chromium spinel oxide magnetic semiconductors over a broad temperature region of T=10-335K. The systematic change of the A-site ions (A=Mn, Fe, Co,…
Altermagnetism, featuring momentum-dependent spin splitting without net magnetization, has attracted a growing interest for spintronics. We study a Fermi Hubbard model with altermagnetic order arising from the spin-anisotropic hopping near…
Nonequilibrium phase transition properties of the $\pm J$ Ising model under a time dependent oscillating perturbation are investigated within the framework of effective field theory for a two-dimensional square lattice. After a detailed…
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 an approach to the DFT+U method (Density Functional Theory + Hubbard model) within which the computational effort for calculation of ground state energies and forces scales linearly with system size. We employ a formulation of…
We investigate the effect of external pressure on magnetic order in undoped LnFeAsO (Ln = La, Ce, Pr, La) by using muon-spin relaxation measurements and ab-initio calculations. Both magnetic transition temperature $T_m$ and Fe magnetic…
To guide improved properties coincident with reduction of critical materials in permanent magnets, we investigate via density functional theory (DFT) the intrinsic magnetic properties of a promising system,…
This study investigates the influence of chemical bonds on the magnetic structure of materials, a less explored area compared to their effect on crystal stability. By analyzing the strength and directionality of chemical bonds using the…
We investigate optically induced ultrafast magnetization dynamics in [Co(0.5 nm)/Pd(1 nm)]x5/NiFe(t) exchange-spring samples with tilted perpendicular magnetic anisotropy using a time-resolved magneto-optical Kerr effect magnetometer. The…
The simultaneous influence of electronic correlations and magnetic ordering on the theoretical estimation of phonons and related properties of Ni is investigated. The work includes a comparative DFT and DFT+U study, where on-site Coulomb…
We present first principles calculations of the dynamic susceptibility in strained and doped ferromagnetic MnBi using time-dependent density functional theory. In spite of being a metal, MnBi exhibits signatures of strong correlation and a…
We have investigated magnetic field dependences of a ferroelectric incommensurate-helimagnetic order in a trigonal magneto-electric (ME) multiferroic CuFe1-xAlxO2 with x=0.015, which exhibits the ferroelectric phase as a ground state, by…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…