Related papers: Connection Between Magnetism and Structure in Fe D…
We present a first-principles study of the large magneto-crystalline anisotropy in the intercalated di-chalcogenide material \ce{Fe_{0.25}TaS_2}, investigated with the DFT+U approach. We verify a uniaxial magnetocrystalline anisotropy…
We have studied the magnetic behavior of dextran-coated magnetite (Fe$_3$O$_4$) nanoparticles with median particle size $\left<d\right>=8$ $nm$. Magnetization curves and in-field M\"ossbauer spectroscopy measurements showed that the…
The layered material Mn$_3$Si$_2$Te$_6$, with alternating stacking honeycomb and triangular layers, is attracting considerable attention due to its rich physical properties. Here, using density functional theory and classical Monte Carlo…
A hallmark of the iron-based superconductors is the strong coupling between magnetic, structural and electronic degrees of freedom. However, a universal picture of the normal state properties of these compounds has been confounded by recent…
We perform density functional calculations to investigate the structure of the inter-metallic alloy FeRh under epitaxial strain. Bulk FeRh exhibits a metamagnetic transition from a low-temperature antiferromagnetic (AFM) phase to a…
Fe-doped III-V ferromagnetic semiconductors (FMSs) such as (In,Fe)As, (Ga,Fe)Sb, (In,Fe)Sb, and (Al,Fe)Sb are promising materials for spintronic device applications because of the availability of both n- and p-type materials and the high…
In 3d-electron magnetic systems, the magnetic structures that transform each other by spin rotation have very close degenerate energies due to small spin-orbit coupling and can be easily controlled by chemical substitution and external…
The magnetic and electronic properties of the layered Zintl-phase compound EuAl$_2$Ge$_2$ crystallizing in the trigonal CaAl$_2$Si$_2$-type structure are reported. Our neutron-diffraction measurements show that EuAl$_2$Ge$_2$ undergoes…
We use density functional theory to investigate effects of spin-orbit coupling and single-stripe-type antiferromagnetic (sAFM) ordering on the crystal structure and electronic properties of SmFeAsO. The results indicate that AFM ordering…
Enhancement of magnetism of Fe that occurs by alloying with Cr or V is discussed on the basis of first-principles electronic structure calculation. The d states of Fe next to Cr(V) are pushed down to the lower energy side compared to those…
We study the effects of the exchange interaction between an adsorbed magnetic atom with easy-axis magnetic anisotropy and the conduction-band electrons from the substrate. We model the system using an anisotropic Kondo model and we compute…
Anisotropic antiferromagnetic systems of dimensionality greater than one in an external field are shown to exhibit a complicated array of ground states depending on the spin structure of the surface. The simplest structure that exhibits…
Anisotropic magnetoresistance (AMR), originating from spin-orbit coupling (SOC), is the sensitivity of the electrical resistance in magnetic systems to the direction of spin magnetization. Although this phenomenon has been experimentally…
Iridates such as Sr$_2$IrO$_4$ are of considerable interest owing to the formation of the Mott insulating state driven by a large spin-orbit coupling. However, in contrast to the expectation from the Nagaoka Theorem that a single doped hole…
The magnetic properties of BaFe$_{2}$As$_{2}$(001) surface have been studied by using first-principles electronic structure calculations. We find that for As-terminated surface the magnetic ground state of the top-layer FeAs is in the…
We study the phase diagram of a frustrated spin-1/2 ferromagnetic chain with anisotropic exchange interactions in an external magnetic field, using the density matrix renormalization group method. We show that an easy-axis anisotropy…
From density functional DFT investigations helped with crystal chemistry rationale, diiron (pairs of Fe), mostly known in molecular diiron nona-carbonyl Fe2(CO)9 and diiron-mono-carbide Fe2C carbide, are embedded in hexagonal C6…
In view of the recent experimental reports of unexpected ferromagnetism in HfO$_{2}$ thin films, we carried out first principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of…
The orbital contribution to the magnetic properties of Fe in systems of decreasing dimensionality (bulk, surfaces, wire and free clusters) is investigated using a tight-binding hamiltonian in an $s, p,$ and $d$ atomic orbital basis set…
We have investigated structural, electronic and magnetic properties of H$_2$Pc on Fe$_2$N/Fe using low-energy electron diffraction and soft x-ray absorption spectroscopy/x-ray magnetic circular dichroism. Element specific magnetization…