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Antisymmetric Dzyaloshinskii-Moriya (DM) interactions generating from the spin-orbit coupling induce various fascinating properties, like magnetoelectric (ME) effect, weak ferromagnetism and non-trivial topological spin textures like…
In this work, we present a detailed theoretical investigation of the electronic and magnetic properties of ferromagnetic slabs and clusters deposited on SrTiO$\_3$ via first-principles, with a particular emphasis on the magneto-crystalline…
We report tight-binding (TB) calculations of magnetocrystalline anisotropy energy (MAE) of Iron slabs and nanoclusters with a particuler focus on local analysis. After clarifying various concepts and formulations for the determination of…
We present detailed ab initio study of structural and magnetic stability of a Fe-monolayer on the fcc(001) surface of iridium. The Fe-monolayer has a strong tendency to order antiferromagnetically for the true relaxed geometry. On the…
Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…
Anisotropic magnetic properties of a layered kagome-like system Cu3Bi(SeO3)2O2Br have been studied by bulk magnetization and magnetic susceptibility measurements as well as powder and single-crystal neutron diffraction. At T_N = 27.4 K the…
Correlated electron systems, particularly iron-based superconductors, are extremely sensitive to strain, which inevitably occurs in the crystal growth process. Built-in strain of this type has been proposed as a possible explanation for…
The majority of recent works devoted to spin nematic phases deal with either frustrated magnets or with those described by Hamiltonians with large non-Heisenberg terms. We show in the present study that nonfrustrated antiferromagnets (AFs)…
Based on first-principles density-functional theory calculations we investigate the electronic structure of hexanuclear "ferric wheels" M Fe_6[N(CH_2 CH_2 O)_3]_6 Cl (M = Li, Na) in their antiferromagnetic ground state. The electronic…
Combining density-functional theory calculations and microscopic tight-binding models, we investigate theoretically the electronic and magnetic properties of individual substitutional transition-metal impurities (Mn and Fe) positioned in…
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…
Understanding and controlling the interfacial magnetic properties of ferromagnetic thin films are crucial for spintronic device applications. However, using conventional magnetometry, it is difficult to detect them separately from the bulk…
Ultra-thin film of FeRh on insulator MgO substrate has been investigated usingab-initio electronic structure calculations. From this calculation, we have found the interesting effect of epitaxial strain on the magnetocrystalline anisotropy…
We report on the perpendicular magnetic anisotropy (PMA) behavior of heavy metal (HM)/ Fe alloy/MgO thin film heterostructures after an ultrathin HfO2 passivation layer is inserted between the Fe alloy and the MgO. This is accomplished by…
Using density functional theory, we investigate the interplay between the stacking order and sequence of bilayers composed of an Fe and a Rh layer on the Re(0001) and their magnetic properties. We find that fcc/ffc stacked bilayers are…
The local magnetic anisotropy of a typical crystalline compound is usually attributed to the combined effect of crystal electric fields and spin-orbit coupling. We show that this simple local picture is transformed in heavy-fermion…
A combined experimental, using X-ray Magnetic Circular Dichroism and theoretical investigation, using full-potential Korringa-Kohn-Rostoker (KKR) Green function method, is carried out to study the spin structure of small magnetic Cr…
Exploring novel systems with perpendicular magnetic anisotropy (PMA) is vital for advancing memory devices. In this study, we report an intriguing PMA system involving an ultrathin Fe layer on an antiferromagnetic (AFM) CoO(001) surface.…
We have studied surface morphology and magnetic properties of Fe/MgO(001) films deposited at an angle varying between 0o and 60o with respect to the surface normal and with azimuth along the Fe[010] or the Fe[110] direction. Due to…
The magnetic properties and electronic structure of the ground and excited states of two recently characterized endohedral metallo-fullerenes, [Gd$_2$@C$_{78}$]$^{-}$ (1) and [Gd$_2$@C$_{80}$]$^{-}$ (2), have been studied by theoretical…