Giant Strain-Induced Spin Splitting Effect in MnTe, a g-Wave Altermagnetic Semiconductor.

Hexagonal MnTe is an altermagnetic semiconductor with g-wave symmetry of spin polarization in momentum space. In the nonrelativistic limit, this symmetry mandates that electric current flowing in any crystallographic direction is unpolarized. However, here I show that elastic strain is effective in inducing the spin splitting effect in MnTe.

Spin-orbit torque in a three-fold-symmetric bilayer and its effect on magnetization dynamics.

Field-free switching of perpendicular magnetization has previously been observed in an epitaxial L1-ordered CoPt/CuPt bilayer and attributed to spin-orbit torque (SOT) arising from the crystallographic 3point group of the interface. Using a first-principles nonequilibrium Green's function formalism combined with the Anderson disorder model, we calculate the angular dependence of the SOT in a CoPt/CuPt bilayer and find that the magnitude of the 3SOT is about 20% of the conventional dampinglike SOT. We further study the magnetization dynamics in perpendicularly magnetized films in the presence of 3SOT and Dzyaloshinskii-Moriya interaction, using the equations of motion for domain wall dynamics and micromagnetic simulations.

Pseudotunnel Magnetoresistance in Twisted van der Waals FeGeTe Homojunctions.

Twistronics, a novel engineering approach involving the alignment of van der Waals (vdW) integrated two-dimensional materials at specific angles, has recently attracted significant attention. Novel nontrivial phenomena have been demonstrated in twisted vdW junctions (the so-called magic angle), such as unconventional superconductivity, topological phases, and magnetism. However, there have been only few reports on integrated vdW layers with large twist angles θ, such as twisted interfacial Josephson junctions using high-temperature superconductors.

On the origin of magnetic anisotropy in 4-free ferromagnets based on the CaCustructure.

Using first-principles calculations, we investigate the origin of magnetocrystalline anisotropy in a series of 4-electron-free intermetallics with CaCu-based structures: YCo, YCoB, and YCoB. The electronic structure of these compounds is characterized by a set of narrow 3bands near the Fermi level. In YCothe easy-axis anisotropy originates primarily in the spin-orbit coupling-induced mixing of the electronic states with Codx2-y2anddxycharacter.

Large and tunable magnetoresistance in van der Waals ferromagnet/semiconductor junctions.

Magnetic tunnel junctions (MTJs) with conventional bulk ferromagnets separated by a nonmagnetic insulating layer are key building blocks in spintronics for magnetic sensors and memory. A radically different approach of using atomically-thin van der Waals (vdW) materials in MTJs is expected to boost their figure of merit, the tunneling magnetoresistance (TMR), while relaxing the lattice-matching requirements from the epitaxial growth and supporting high-quality integration of dissimilar materials with atomically-sharp interfaces. We report TMR up to 192% at 10 K in all-vdW FeGeTe/GaSe/FeGeTe MTJs.

Theory of Spin Loss at Metallic Interfaces.

Interfacial spin-flip scattering plays an important role in magnetoelectronic devices. Spin loss at metallic interfaces is usually quantified by matching the magnetoresistance data for multilayers to the Valet-Fert model, while treating each interface as a fictitious bulk layer whose thickness is δ times the spin-diffusion length. By employing the properly generalized circuit theory and the scattering matrix approaches, we derive the relation of the parameter δ to the spin-flip transmission and reflection probabilities at an individual interface.

Spin-Fluctuation Mechanism of Anomalous Temperature Dependence of Magnetocrystalline Anisotropy in Itinerant Magnets.

The origins of the anomalous temperature dependence of magnetocrystalline anisotropy in (Fe_{1-x}Co_{x})_{2}B alloys are elucidated using first-principles calculations within the disordered local moment model. Excellent agreement with experimental data is obtained. The anomalies are associated with the changes in band occupations due to Stoner-like band shifts and with the selective suppression of spin-orbit "hot spots" by thermal spin fluctuations.

Ab Initio Construction of Magnetic Phase Diagrams in Alloys: The Case of Fe(1-x)Mn(x)Pt.

A first-principles approach to the construction of concentration-temperature magnetic phase diagrams of metallic alloys is presented. The method employs self-consistent total energy calculations based on the coherent potential approximation for partially ordered and noncollinear magnetic states and is able to account for competing interactions and multiple magnetic phases. Application to the Fe(1-x)Mn(x)Pt "magnetic chameleon" system yields the sequence of magnetic phases at T=0 and the c-T magnetic phase diagram in good agreement with experiment, and a new low-temperature phase is predicted at the Mn-rich end.

Strategies for increasing the Néel temperature of magnetoelectric Fe2TeO6.

Ways to increase the Néel temperature TN in the magnetoelectric Fe2TeO6 antiferromagnet are explored with the help of first-principles calculations. Substitution of larger ions like Zr or Hf for tellurium increases the superexchange angles. The compensating O vacancies tend to form bound complexes with Zr dopants, which do not degrade the electronic band gap.

Imaging and control of surface magnetization domains in a magnetoelectric antiferromagnet.

We report the direct observation of surface magnetization domains of the magnetoelectric Cr(2)O(3) using photoemission electron microscopy with magnetic circular dichroism contrast and magnetic force microscopy. The domain pattern is strongly affected by the applied electric field conditions. Zero-field cooling results in an equal representation of the two domain types, while electric-field cooling selects one dominant domain type.

Equilibrium magnetization at the boundary of a magnetoelectric antiferromagnet.

Symmetry arguments are used to show that a boundary of a magnetoelectric antiferromagnet has an equilibrium magnetization. This magnetization is coupled to the bulk antiferromagnetic order parameter and can be switched along with it by a combination of E and B fields. As a result, the antiferromagnetic domain state of a magnetoelectric can be used as a nonvolatile switchable state variable in nanoelectronic device applications.

Robust isothermal electric control of exchange bias at room temperature.

Voltage-controlled spin electronics is crucial for continued progress in information technology. It aims at reduced power consumption, increased integration density and enhanced functionality where non-volatile memory is combined with high-speed logical processing. Promising spintronic device concepts use the electric control of interface and surface magnetization.

Comparison of n-type Gd(2)O(3) and Gd-doped HfO(2).

Gd(2)O(3) and Gd-doped HfO(2) films were deposited on p-type silicon substrates in a reducing atmosphere. Gd 4f photoexcitation peaks at roughly 7 and 5 eV below the valence band maximum have been identified using the resonant photoemission of Gd(2)O(3) and Gd-doped HfO(2) films, respectively. In the case of Gd(2)O(3), strong hybridization with the O 2p band is demonstrated, and there is evidence that the Gd 4f weighted band exhibits dispersion in the bulk band structure.

Reversal of spin polarization in Fe/GaAs (001) driven by resonant surface states: first-principles calculations.

A minority-spin resonant state at the Fe/GaAs(001) interface is predicted to reverse the spin polarization with the voltage bias of electrons transmitted across this interface. Using a Green's function approach within the local spin-density approximation, we calculate the spin-dependent current in a Fe/GaAs/Cu tunnel junction as a function of the applied bias voltage. We find a change in sign of the spin polarization of tunneling electrons with bias voltage due to the interface minority-spin resonance.

Effect of ferroelectricity on electron transport in Pt/BaTiO3/Pt tunnel junctions.

Based on first-principles calculations, we demonstrate the impact of the electric polarization on electron transport in ferroelectric tunnel junctions (FTJs). Using a Pt/BaTiO3/Pt FTJ as a model system, we show that the polarization of the BaTiO3 barrier leads to a substantial drop in the tunneling conductance due to changes in the electronic structure driven by ferroelectric displacements. We find a sizable change in the transmission probability across the Pt/BaTiO3 interface with polarization reversal, a signature of the electroresistance effect.

Tunneling anisotropic magnetoresistance driven by resonant surface states: first-principles calculations on an Fe(001) surface.

Fully relativistic first-principles calculations of the Fe(001) surface demonstrate that resonant surface (interface) states may produce sizable tunneling anisotropic magnetoresistance in magnetic tunnel junctions with a single magnetic electrode. The effect is driven by the spin-orbit coupling. It shifts the resonant surface band via the Rashba effect when the magnetization direction changes.

Negative spin polarization and large tunneling magnetoresistance in epitaxial Co/SrTiO(3)/Co magnetic tunnel junctions.

We perform an ab initio study of spin-polarized tunneling in epitaxial Co/SrTiO(3)/Co magnetic tunnel junctions with bcc Co(001) electrodes. We predict a large tunneling magnetoresistance in these junctions, originating from a mismatch in the majority- and minority-spin bands both in bulk bcc Co and at the Co/SrTiO(3)/Co interface. The intricate complex band structure of SrTiO(3) enables efficient tunneling of the minority d electrons which causes the spin polarization of the Co/SrTiO(3)/Co interface to be negative in agreement with experimental data.

Superconductivity of metallic boron in MgB2.

Boron in MgB2 forms stacks of honeycomb layers with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Fermi level derive mainly from B orbitals. Strong bonding with an ionic component and considerable metallic density of states yield a sizable electron-phonon coupling.