Orbital contribution to the magnetic properties of nanowires: Is the orbital polarization ansatz justified?

We show that considerable orbital magnetic moments and magneto-crystalline anisotropy energies are obtained for a Fe monatomic wire described in a tight-binding method with intra-atomic electronic interactions treated in a full Hartree Fock (HF) decoupling scheme. Even-though the use of the orbital polarization ansatz with simplified Hamiltonians leads to fairly good results when the spin magnetization is saturated this is not the case of unsaturated systems. We conclude that the full HF scheme is necessary to investigate low dimensional systems

Giant orbital moments are responsible for the anisotropic magnetoresistance of atomic contacts

We study here, both experimentally and theoretically, the anisotropy of magnetoresistance in atomic contacts. Our measurements on iron break junctions reveal an abrupt and hysteretic switch between two conductance levels when a large applied field is continuously rotated. We show that this behaviour stems from the coexistence of two metastable electronic states which result from the anisotropy of electronic interactions responsible for the enhancement of orbital magnetization. In both states giant orbital moments appear on the low coordinated central atom in a realistic contact geometry. However they differ by their orientation, parallel or perpendicular, with respect to the axis of the contact. Our explanation is totally at variance with the usual model based on the band structure of a monatomic linear chain, which we argue cannot be applied to 3d ferromagnetic metals

Atomic and Electronic Structure of a Rashba pp-nn Junction at the BiTeI Surface

The non-centrosymmetric semiconductor BiTeI exhibits two distinct surface terminations that support spin-split Rashba surface states. Their ambipolarity can be exploited for creating spin-polarized $p$-$n$ junctions at the boundaries between domains with different surface terminations. We use scanning tunneling microscopy/spectroscopy (STM/STS) to locate such junctions and investigate their atomic and electronic properties. The Te- and I-terminated surfaces are identified owing to their distinct chemical reactivity, and an apparent height mismatch of electronic origin. The Rashba surface states are revealed in the STS spectra by the onset of a van Hove singularity at the band edge. Eventually, an electronic depletion is found on interfacial Te atoms, consistent with the formation of a space charge area in typical $p$-$n$ junctions.Comment: 5 pages, 4 figure

Strong out-of-plane magnetic anisotropy of Fe adatoms on Bi2_2Te3_3

The electronic and magnetic properties of individual Fe atoms adsorbed on the surface of the topological insulator Bi$_2$Te$_3$(111) are investigated. Scanning tunneling microscopy and spectroscopy prove the existence of two distinct types of Fe species, while our first-principles calculations assign them to Fe adatoms in the hcp and fcc hollow sites. The combination of x-ray magnetic circular dichroism measurements and angular dependent magnetization curves reveals out-of-plane anisotropies for both species with anisotropy constants of $K_{\text{fcc}} = (10 \pm 4)$ meV/atom and $K_{\text{hcp}} = (8 \pm 4)$ meV/atom. These values are well in line with the results of calculations.Comment: 6 pages, 3 figure

Reflection mechanism for generating spin transfer torque without charge current

A reflection mechanism for generating spin-transfer torque is proposed. It is due to interference of bias-driven nonequilibrium electrons incident on a switching junction, with the electrons reflected from an insulating barrier inserted in the junction after the switching magnet. It is shown, using the rigorous Keldysh formalism, that this out-of-plane torque T⊥ is proportional to an applied bias and is as large as the torque in a conventional junction generated by a strong charge current. However, the charge current and the in-plane torque T∥ are almost completely suppressed by the insulating barrier. This junction thus offers the highly applicable possibility of bias-induced switching of magnetization without charge current

BiTeCl and BiTeBr: a comparative high-pressure optical study

We here report a detailed high-pressure infrared transmission study of BiTeCl and BiTeBr. We follow the evolution of two band transitions: the optical excitation $\beta$ between two Rashba-split conduction bands, and the absorption $\gamma$ across the band gap. In the low pressure range, $p< 4$~GPa, for both compounds $\beta$ is approximately constant with pressure and $\gamma$ decreases, in agreement with band structure calculations. In BiTeCl, a clear pressure-induced phase transition at 6~GPa leads to a different ground state. For BiTeBr, the pressure evolution is more subtle, and we discuss the possibility of closing and reopening of the band gap. Our data is consistent with a Weyl phase in BiTeBr at 5$-$6~GPa, followed by the onset of a structural phase transition at 7~GPa.Comment: are welcom

Observation of Weyl nodes in robust type-II Weyl semimetal WP2

Distinct to type-I Weyl semimetals (WSMs) that host quasiparticles described by the Weyl equation, the energy dispersion of quasiparticles in type-II WSMs violates Lorentz invariance and the Weyl cones in the momentum space are tilted. Since it was proposed that type-II Weyl fermions could emerge from (W,Mo)Te2 and (W,Mo)P2 families of materials, a large numbers of experiments have been dedicated to unveil the possible manifestation of type-II WSM, e.g. the surface-state Fermi arcs. However, the interpretations of the experimental results are very controversial. Here, using angle-resolved photoemission spectroscopy supported by the first-principles calculations, we probe the tilted Weyl cone bands in the bulk electronic structure of WP2 directly, which are at the origin of Fermi arcs at the surfaces and transport properties related to the chiral anomaly in type-II WSMs. Our results ascertain that due to the spin-orbit coupling the Weyl nodes originate from the splitting of 4-fold degenerate band-crossing points with Chern numbers C = $\pm$2 induced by the crystal symmetries of WP2, which is unique among all the discovered WSMs. Our finding also provides a guiding line to observe the chiral anomaly which could manifest in novel transport properties.Comment: 13 pages, 3 figure

Strong enhancement of the tunneling magnetoresistance by electron filtering in an Fe/MgO/Fe/GaAs(001) junction

Calculations of the tunneling magnetoresistance (TMR) of an epitaxial Fe/MgO/Fe tunneling junction attached to an n-type GaAs lead, under positive gate voltage, are presented. It is shown that for realistic GaAs carrier densities the TMR of this composite system can be more than 2 orders of magnitude higher than that of a conventional Fe/MgO/Fe junction. Furthermore, the high TMR is achieved with modest MgO thicknesses and is very robust to disorder at the Fe/GaAs interface and within the GaAs layer itself. The significant practical advantage of this system is that huge TMRs should be attainable for junctions with modest resistances. For a GaAs carrier density of 1019??cm-3 the system is calculated to have a TMR in excess of 10?000% but its resistance is equivalent to that of a conventional Fe/MgO/Fe junction with only 6–7 at. planes of MgO

Giant ambipolar Rashba effect in a semiconductor: BiTeI

We observe a giant spin-orbit splitting in bulk and surface states of the non-centrosymmetric semiconductor BiTeI. We show that the Fermi level can be placed in the valence or in the conduction band by controlling the surface termination. In both cases it intersects spin-polarized bands, in the corresponding surface depletion and accumulation layers. The momentum splitting of these bands is not affected by adsorbate-induced changes in the surface potential. These findings demonstrate that two properties crucial for enabling semiconductor-based spin electronics -- a large, robust spin splitting and ambipolar conduction -- are present in this material.Comment: 4 pages, 3 figure

Controlled Growth of a Line Defect in Graphene and Implications for Gate-Tunable Valley Filtering

Atomically precise tailoring of graphene can enable unusual transport pathways and new nanometer-scale functional devices. Here we describe a recipe for the controlled production of highly regular "5-5-8" line defects in graphene by means of simultaneous electron irradiation and Joule heating by applied electric current. High-resolution transmission electron microscopy reveals individual steps of the growth process. Extending earlier theoretical work suggesting valley-discriminating capabilities of a graphene 5-5-8 line defect, we perform first-principles calculations of transport and find a strong energy dependence of valley polarization of the charge carriers across the defect. These findings inspire us to propose a compact electrostatically gated "valley valve" device, a critical component for valleytronics