Related papers: Contrasting magnetic anisotropy in CrCl3 and CrBr3…
The electronic structure and magnetic properties of the 2H-NbS$_2$ compound intercalated by Cr, Mn and Fe, have been investigated by means of the Korringa-Kohn-Rostoker (KKR) method. The calculations demonstrate easy plane…
Ferromagnetism in the two-dimensional CrI$_3$ has generated a lot of excitement, and it was recently proposed that the spin-orbit coupling (SOC) in Iodine may generate bond-dependent spin interactions leading to magnetic anisotropy. Here we…
Two-dimensional (2D) ferromagnets have been a fascinating subject of research, and magnetic anisotropy (MA) is indispensable for stabilizing the 2D magnetic order. Here, we investigate magnetic anisotropy energy (MAE), magnetic and…
Anisotropic magnetoresistance (AMR) has a crucial feature for developing highly sensitive sensors and innovative memory devices. While extensively studied in bulk materials, AMR effects in these materials are typically weak. Recent…
Recently, perpendicular magnetic anisotropy (PMA) and its voltage control (VC) was demonstrated for Cr/Fe/MgO (Physical Review Applied 5, 044006 (2016)). In this study, we shed a light on the origin of large voltage-induced anisotropy…
We study the modification of the magnetocrystalline anisotropy (MCA) of Co slabs induced by several different conjugated molecular overlayers, i.e., benzene, cyclooctatetraene, naphthalene, pyrene and coronene. We perform first-principles…
We present the electronic and magnetic structure calculations of VCl3, VBr3, CrCl3 and CrBr3. The results are obtained by density functional theory with plane wave basis sets. The trihalides generally optimize either in trigonal or…
Two-dimensional (2D) ferromagnets have recently drawn extensive attention, and here we study the electronic structure and magnetic properties of the bulk and monolayer of CrSBr, using first-principles calculations and Monte Carlo…
We analyze magnetic properties of monolayers and bilayers of chromium trihalides, CrI$_3$, in two different stacking configurations: AA and rhombohedral ones. Our main focus is on the corresponding Curie temperatures, hysteresis curves,…
The new challenges posed by the need of finding strong rare-earth free magnets demand methods that can predict magnetization and magnetocrystalline anisotropy energy (MAE). We argue that correlated electron effects, which are normally…
Spin-orbit coupling (SOC) gives rise to complex magnetic states such as spin liquids, skyrmion crystals, and topological spin-wave excitations. We consider exchange interactions in multi-orbital Mott insulators where SOC is strong on ligand…
First-principles calculations are used to gauge different levels of approximation to calculate the magnetocrystalline anisotropy energies (MAE) of five $L1_0$ FeMe alloys (Me=Co, Cu, Pd, Pt, Au). We find that a second-order perturbation…
The substrate contribution to the magnetic anisotropy energy (MAE) of supported nanostructures can be quantified by a site-selective manipulation of the spin-orbit coupling (SOC) and the effective exchange field B_ex. A systematic study of…
Magnetic anisotropy in an antiferromagnet (AFM) with inversion symmetry breaking (ISB) is investigated. The magnetic anisotropy energy (MAE) resulting from the Rashba spin-orbit and s-d type exchange interactions is determined for two…
The Chiral Magnetic Effect (CME) is a phenomenon in which electric charge is separated by a strong magnetic field from local domains of chirality imbalance and parity violation in quantum chromodynamics (QCD). The CME-sensitive observable,…
We present angle-dependent high-frequency EPR studies on a single-crystal of a trigonal Mn3 cluster with an unusual structure in which the local magnetic easy-axes of the constituent Mn(III) ions are tilted significantly away from the…
Transition metal thriclorides, with $4d$ or $5d$ electrons, are materials at the forefront of recent studies about the interplay of spin-orbit coupling and strong Coulomb interactions. Within our first-principles calculations (DFT+$U$+SOC)…
The dependence of the magnetocrystalline anisotropy energy (MAE) of MCo5 (M = Y, La) on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the…
CrSb is a layered antiferromagnet (AFM) with perpendicular magnetic anisotropy, a high N\'{e}el temperature, and large spin-orbit coupling (SOC), which makes it interesting for AFM spintronic applications. To elucidate the various…
We explore the structural, magnetic, vibrational and optical band gap properties under varying pressures. By integrating first-principles calculations with experimental techniques, including Raman spectroscopy, photoluminescence (PL),…