Monitoring surface resonances on Co2MnSi(100) by spin-resolved photoelectron spectroscopy

The magnitude of the spin polarization at the Fermi level of ferromagnetic materials at room temperature is a key property for spintronics. Investigating the Heusler compound Co$_2$MnSi a value of 93$\%$ for the spin polarization has been observed at room temperature, where the high spin polarization is related to a stable surface resonance in the majority band extending deep into the bulk. In particular, we identified in our spectroscopical analysis that this surface resonance is embedded in the bulk continuum with a strong coupling to the majority bulk states. The resonance behaves very bulk-like, as it extends over the first six atomic layers of the corresponding (001)-surface. Our study includes experimental investigations, where the bulk electronic structure as well as surface-related features have been investigated using spin-resolved photoelectron spectroscopy (SR-UPS) and for a larger probing depth spin-integrated high energy x-ray photoemission spectroscopy (HAXPES). The results are interpreted in comparison with first-principles band structure and photoemission calculations which consider all relativistic, surface and high-energy effects properly.Comment: 9 pages, 8 figures, Heusler alloy, electronic structure and photoemissio

Observation and theoretical description of the pure Fano-effect in the valence-band photo-emission of ferromagnets

The pure Fano-effect in angle-integrated valence-band photo-emission of ferromagnets has been observed for the first time. A contribution of the intrinsic spin polarization to the spin polarization of the photo-electrons has been avoided by an appropriate choice of the experimental parameters. The theoretical description of the resulting spectra reveals a complete analogy to the Fano-effect observed before for paramagnetic transition metals. While the theoretical photo-current and spin difference spectra are found in good quantitative agreement with experiment in the case of Fe and Co only a qualitative agreement could be achieved in the case of Ni by calculations on the basis of plain local spin density approximation (LSDA). Agreement with experimental data could be improved in this case in a very substantial way by a treatment of correlation effects on the basis of dynamical mean field theory (DMFT).Comment: 11 pages, 3 figures accepted by PR

Orbital magnetism in transition-metal systems: The role of local correlation effects

The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic Density Functional Theory in combination with the Dynamical Mean-Field Theory. In contrast to the previous studies based on the orbital polarization corrections we obtain an improved description of the orbital moments for wide range of studied systems as bulk Fe, Co and Ni, Fe-Co disordered alloys and 3$d$ impurities in Au. The proposed scheme can give simultaneously a correct dynamical description of the spectral function as well as static magnetic properties of correlated disordered metals.Comment: EPL accepte

Momentum resolved spin dynamics of bulk and surface excited states in the topological insulator Bi2Se3\mathrm{Bi_{2}Se_{3}}

The prospective of optically inducing a spin polarized current for spintronic devices has generated a vast interest in the out-of-equilibrium electronic and spin structure of topological insulators (TIs). In this Letter we prove that only by measuring the spin intensity signal over several order of magnitude in spin, time and angle resolved photoemission spectroscopy (STAR-PES) experiments is it possible to comprehensively describe the optically excited electronic states in TIs materials. The experiments performed on $\mathrm{Bi_{2}Se_{3}}$ reveal the existence of a Surface-Resonance-State in the 2nd bulk band gap interpreted on the basis of fully relativistic ab-initio spin resolved photoemission calculations. Remarkably, the spin dependent relaxation of the hot carriers is well reproduced by a spin dynamics model considering two non-interacting electronic systems, derived from the excited surface and bulk states, with different electronic temperatures.Comment: 5 pages and 4 figure

Effect of chemical disorder on NiMnSb investigated by Appearance Potential Spectroscopy: a theoretical study

The half-Heusler alloy NiMnSb is one of the local-moment ferromagnets with unique properties for future applications. Band structure calculations predict exclusively majority bands at the Fermi level, thus indicating {100%} spin polarization there. As one thinks about applications and the design of functional materials, the influence of chemical disorder in these materials must be considered. The magnetization, spin polarization, and electronic structure are expected to be sensitive to structural and stoichiometric changes. In this contribution, we report on an investigation of the spin-dependent electronic structure of NiMnSb. We studied the influence of chemical disorder on the unoccupied electronic density of states by use of the ab-initio Coherent Potential Approximation method. The theoretical analysis is discussed along with corresponding spin-resolved Appearance Potential Spectroscopy measurements. Our theoretical approach describes the spectra as the fully-relativistic self-convolution of the matrix-element weighted, orbitally resolved density of states.Comment: JPD submitte

Geometry-induced spin-filtering in photoemission maps from WTe2_2 surface states

We demonstrate that an important quantum material WTe$_2$ exhibits a new type of geometry-induced spin-filtering effect in photoemission, stemming from low symmetry that is responsible for its exotic transport properties. Through the laser-driven spin-polarized angle-resolved photoemission Fermi surface mapping, we showcase highly asymmetric spin textures of electrons photoemitted from the surface states of WTe$_2$. Such asymmetries are not present in the initial state spin textures, which are bound by the time-reversal and crystal lattice mirror plane symmetries. The findings are reproduced qualitatively by theoretical modeling within the one-step model photoemission formalism. The effect could be understood within the free-electron final state model as an interference due to emission from different atomic sites. The observed effect is a manifestation of time-reversal symmetry breaking of the initial state in the photoemission process, and as such it cannot be eliminated, but only its magnitude influenced, by special experimental geometries.Comment: 5 pages, 3 figure

Photoemission of Bi2_2Se3_3 with Circularly Polarized Light: Probe of Spin Polarization or Means for Spin Manipulation?

Topological insulators are characterized by Dirac cone surface states with electron spins aligned in the surface plane and perpendicular to their momenta. Recent theoretical and experimental work implied that this specific spin texture should enable control of photoelectron spins by circularly polarized light. However, these reports questioned the so far accepted interpretation of spin-resolved photoelectron spectroscopy. We solve this puzzle and show that vacuum ultraviolet photons (50-70 eV) with linear or circular polarization probe indeed the initial state spin texture of Bi$_2$Se$_3$ while circularly polarized 6 eV low energy photons flip the electron spins out of plane and reverse their spin polarization. Our photoemission calculations, considering the interplay between the varying probing depth, dipole selection rules and spin-dependent scattering effects involving initial and final states explain these findings, and reveal proper conditions for light-induced spin manipulation. This paves the way for future applications of topological insulators in opto-spintronic devices.Comment: Submitted for publication (2013

Correlation effects in total energy of transition metals and related properties

We present an accurate implementation of total energy calculations into the local density approximation plus dynamical mean-field theory (LDA+DMFT) method. The electronic structure problem is solved through the full potential linear Muffin-Tin Orbital (FP-LMTO) and Korringa-Kohn-Rostoker (FP-KKR) methods with a perturbative solver for the effective impurity suitable for moderately correlated systems. We have tested the method in detail for the case of Ni and investigated the sensitivity of the results to the computational scheme and to the complete self-consistency. It is demonstrated that the LDA+DMFT method can resolve a long-standing controversy between the LDA/GGA density functional approach and experiment for equilibrium lattice constant and bulk modulus of Mn.Comment: 14 pages, 5 figure

Rashba-type spin splitting at Au(111) beyond the Fermi level: the other part of the story

We present a combined experimental and theoretical study of spin–orbit-induced spin splittings in the unoccupied surface electronic structure of the prototypical Rashba system Au(111). Spin- and angle-resolved inverse-photoemission measurements reveal a Rashba-type spin splitting in the unoccupied part of the L-gap surface state. With increasing momentum parallel to the surface, the spectral intensity is lowered and the spin splitting vanishes as the surface state approaches the band-gap boundary. Furthermore, we observe significantly spin-dependent peak positions and intensities for transitions between unoccupied sp-like bulk bands. Possible reasons for this behavior are considered: initial and final-state effects as well as the transition itself, which is controlled by selection rules depending on the symmetry of the involved states. Based on model calculations, we identify the initial states as origin of the observed Rashba-type spin effects in bulk transitions