Influence of tetragonal distortion on the magnetic and electronic properties of the Heusler compound Co2TiSn from first principles

Using the full potential linearized augmented plane wave plus local orbitals method we determine ab-initio the lattice parameters of tetragonally distorted Co2TiSn in the L21 structure. The tetragonal lattice parameter c is determined as a function of the lattice parameter a by energy minimization. The change in total energy is found to be only a few $k_B T$ with respect to room temperature. The spin polarizations as well as the magnetizations are stable against small lattice distortions. It is shown, that the volume is not constant upon distortion and that the volume change is related with significant changes in the magnetization and the gap energy.Comment: 3 pages, 4 figure

Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn2TiZ Heusler compounds

The Heusler compounds Mn$_2$TiZ (Z = Al, Ga, In, Si, Ge, Sn, P, As, Sb) are of large interest due to their potential ferrimagnetic properties and high spin polarization. Here, we present calculations of the structural and magnetic properties of these materials. Their magnetic moment follows the Slater-Pauling rule $m = N_V - 24$. None of them is actually a perfect half-metallic ferrimagnet, but some exhibit more than 90% spin polarization and Curie temperatures well above room temperature. The exchange interactions are complex, direct and indirect exchange contributions are identified. The Curie temperature scales with the total magnetic moment, and it has a positive pressure dependence. The role of the Z element is investigated: it influences the properties of the compounds mainly via its valence electron number and its atomic radius, which determines the lattice parameter. Based on these results, Mn$_2$TiSi, Mn$_2$TiGe, and Mn$_2$TiSn are proposed as candidates for spintronic applications.Comment: 13 pages, 6 figure

Exchange interactions and Curie temperatures in Mn2CoZ compounds

The generalized Heusler compounds Mn2CoZ (Z = Al, Ga, In, Si, Ge, Sn, Sb) with the Hg2CuTi structure are of large interest due to their half-metallic ferrimagnetism. The complex magnetic interactions between the constituents are studied by first principles calculations of the Heisenberg exchange coupling parameters, and Curie temperatures are calculated from those. Due to the direct Mn-Mn exchange interaction in Mn2CoZ, the Curie temperature decreases, while the total moment increases when changing Z from one group to another. The exchange interactions are dominated by a strong direct exchange between Co and its nearest neighbor Mn on the B site, which is nearly constant. The coupling between the nearest-neighbor Mn atoms scales with the magnetic moment of the Mn atom on the C site. Calculations with different lattice parameters suggest a negative pressure dependence of the Curie temperature, which follows from decreasing magnetic moments. Curie temperatures of more than 800 K are predicted for Mn2CoAl (890 K), Mn2CoGa (886 K), and Mn2CoIn (845 K).Comment: 12 pages, 3 figure

Titanium Nitride as a Seed Layer for Heusler Compounds

Titanium nitride (TiN) shows low resistivity at room temperature, high thermal stability and thus has the potential to serve as seed layer in magnetic tunnel junctions. High quality TiN thin films with regard to the crystallographic and electrical properties were grown and characterized by X-ray diffraction and 4-terminal transport measurements. Element specific X-ray absorption spectroscopy revealed pure TiN in the bulk. To investigate the influence of a TiN seed layer on a ferro(i)magnetic bottom electrode, an out-of-plane magnetized Mn2.45Ga as well as in- and out-of-plane magnetized Co2FeAl thin films were deposited on a TiN buffer, respectively. The magnetic properties were investigated using a superconducting quantum interference device (SQUID) and anomalous Hall effect (AHE) for Mn2.45Ga. Magneto optical Kerr effect (MOKE) measurements were carried out to investigate the magnetic properties of Co2FeAl. TiN buffered Mn2.45Ga thin films showed higher coercivity and squareness ratio compared to unbuffered samples. The Heusler compound Co2FeAl showed already good crystallinity when grown at room temperature

Resistive contribution in electrical switching experiments with antiferromagnets

Recent research demonstrated the electrical switching of antiferromagnets via intrinsic spin-orbit torque or the spin Hall effect of an adjacent heavy metal layer. The electrical readout is typically realized by measuring the transverse anisotropic magnetoresistance at planar cross- or star-shaped devices with four or eight arms, respectively. Depending on the material, the current density necessary to switch the magnetic state can be large, often close to the destruction threshold of the device. We demonstrate that the resulting electrical stress changes the film resistivity locally and thereby breaks the fourfold rotational symmetry of the conductor. This symmetry breaking due to film inhomogeneity produces signals, that resemble the anisotropic magnetoresistance and is experimentally seen as a "saw-tooth"-shaped transverse resistivity. This artifact can persist over many repeats of the switching experiment and is not easily separable from the magnetic contribution. We discuss the origin of the artifact, elucidate the role of the film crystallinity, and propose approaches how to separate the resistive contribution from the magnetic contribution.Comment: 9 pages, 7 figure

Static magnetic proximity effect in Pt/Ni1−x_{1-x}Fex_x bilayers investigated by x-ray resonant magnetic reflectivity

We present x-ray resonant magnetic reflectivity (XRMR) as a very sensitive tool to detect proximity induced interface spin polarization in Pt/Fe, Pt/Ni$_{33}$Fe$_{67}$, Pt/Ni$_{81}$Fe$_{19}$ (permalloy), and Pt/Ni bilayers. We demonstrate that a detailed analysis of the reflected x-ray intensity gives insight in the spatial distribution of the spin polarization of a non-magnetic metal across the interface to a ferromagnetic layer. The evaluation of the experimental results with simulations based on optical data from ab initio calculations provides the induced magnetic moment per Pt atom in the spin polarized volume adjacent to the ferromagnet. We find the largest spin polarization in Pt/Fe and a much smaller magnetic proximity effect in Pt/Ni. Additional XRMR experiments with varying photon energy are in good agreement with the theoretical predictions for the energy dependence of the magnetooptic parameters and allow identifying the optical dispersion $\delta$ and absorption $\beta$ across the Pt L3-absorption edge