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MnxGa films with high perpendicular anisotropy, coercivity and energy product have great application potential in ultrahigh-density perpendicular recording, permanent magnets, spin-transfer-torque memory and oscillators, magneto-resistance…
FeGa$_3$ is an unusual intermetallic semiconductor that presents intriguing magnetic responses to the tuning of its electronic properties. When doped with Ge, the system evolves from diamagnetic to paramagnetic to ferromagnetic ground…
We present first principles exploration of 529 Fe$_3$XY$_2$ compounds, where $X$ and $Y$ elements are selected from the $p$-block of the periodic table. Out of the entire set, 31 compounds satisfy all criteria for energetic, dynamic,…
We report on the self-organized growth of a regular array of Fe nanoclusters on a nanopatterned magnetite surface. Under oxidizing preparation conditions the (111) surface of magnetite exhibits a regular superstructure with three-fold…
By imposing the constraints of structural compatibility, stability and a large tunneling magneto-resistance, we have identified the Fe$_3$Al/BiF$_3$/Fe$_3$Al stack as a possible alternative to the well-established FeCoB/MgO/FeCoB in the…
The reconstructions of the Ga polarity GaN(0 0 0 1) surface with and without trace amounts of arsenic and prepared by molecular beam epitaxy (MBE) have been studied with in situ reflection high-energy electron diffraction (RHEED) and…
A magnetic tunnel junction Fe3O4/MgO/Fe with (001) layer orientation is considered. The junction magnetic energy is analyzed as a function of the angle between the layer magnetization vectors under various magnetic fields. The tunnel…
We provide a complete and systematic first-principles study of the thermodynamic stability, structural parameters, and magnetic properties of the T1 non-collinear antiferromagnetic L1$_2$-IrMn$_3$ surface and L1$_2$-IrMn$_3$/Fe…
The magnetic behavior of single-crystalline CeCuGa3 has been investigated. The compound forms in a tetragonal BaAl4-type structure consisting of rare-earth planes separated by Cu-Ga layers. If the Cu-Ga site disorder is reduced, CeCuGa3…
We have investigated the initial growth of Fe on GaAs(110) by means of density functional theory. In contrast to the conventionally used (001)-surface the (110)-surface does not reconstruct. Therefore, a flat interface and small diffusion…
The majority of the iron-based superconductors (FeSCs) exhibit a two-dimensional square lattice structure. Recent reports of pressure-induced superconductivity in the spin-ladder system, BaFe$_2$X$_3$ (X =S,Se), introduce a…
The interface structure of Fe/MgO(100) magnetic tunnel junctions predicted by density functional theory (DFT) depends significantly on the choice of exchange and correlation functional. Bader analysis reveals that structures obtained by…
Ga$_2$O$_3$ is a wide-bandgap material of interest for a wide variety of devices, many of these requiring heterostructures, for instance to achieve carrier confinement. A common method to create such heterostructures is to alloy with…
The Gd3Ga5-xAlxO12 (0 < x < 5) solid solution has been prepared using ceramic synthesis routes and the structural and magnetic properties investigated using X-ray diffraction, magnetic susceptibility, chi, and isothermal magnetisation,…
Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the…
We studied the stable magnetic structure of ordered Nd$_{6}$Fe$_{14-x}$Ga$_x$ ($x = 0, 1)$ alloys, which appears in the grain-boundary (GB) phase of Nd-Fe-B permanent magnets, using first-principles techniques. Slight Ga doping ($x = 1$)…
The compound alpha-Fe1.4Ga0.6O3 has been prepared by mechanical alloying of alpha-Fe2O3 and Ga2O3 and subsequent heating of the mechanical alloyed samples in vacuum condition. Magnetic ordering of alpha-Fe2O3 has been modified by…
The observation of perpendicular magnetic anisotropy (PMA) at MgO/Fe interfaces boosted the development of spintronic devices based on ultrathin ferromagnetic layers. Yet, magnetization reversal in the standard magnetic tunnel junctions…
Recent breakthroughs in bulk crystal growth of the thermodynamically stable beta phase of gallium oxide ($\beta$-Ga$_2$O$_3$) have led to the commercialization of large-area beta-Ga$_2$O$_3$ substrates with subsequent epitaxy on (010)…
The structural and magnetic properties of polycrystalline YMn1-xMxO3 (M = Ti, Fe, Ga; x = 0, 0.1) have been studied by neutron powder diffraction and magnetic measurements to probe the effect of Mn site doping on the frustration behavior…