arXiv subjects

E. V. Chulkov

Publications and source records attributed to E. V. Chulkov.

At least 55 records · Page 3Linked to original sources

arXiv2015

Origin of inverse Rashba-Edelstein effect at Cu/Bi interface using lateral spin valves

The spin transport and spin-to-charge current conversion properties of bismuth are investigated using permalloy/copper/bismuth (Py/Cu/Bi)lateral spin valve structures. The spin current is strongly absorbed at the surface of Bi, leading to ultra-short spin diffusion lengths. A spin-to-charge current conversion is measured, which is attributed to the inverse Rashba-Edelstein effect at the Cu/Bi interface. The spin-current-induced charge current is found to change direction with increasing temperature. A theoretical analysis relates this behavior to the complex spin structure and dispersion of the surface states at the Fermi energy. The understanding of this phenomenon opens novel possibilities to exploit spin-orbit coupling to create, manipulate, and detect spin currents in 2D systems.

cond-mat.mes-hall↗

arXiv2015

Electron-phonon relaxation and excited electron distribution in gallium nitride

We develop a theory of energy relaxation in semiconductors and insulators highly excited by the long-acting external irradiation. We derive the equation for the non-equilibrium distribution function of excited electrons. The solution for this function breaks up into the sum of two contributions. The low-energy contribution is concentrated in a narrow range near the bottom of the conduction band. It has the typical form of a Fermi distribution with an effective temperature and chemical potential. The effective temperature and chemical potential in this low-energy term are determined by the intensity of carriers' generation, the speed of electron-phonon relaxation, rates of inter-band recombination and electron capture on the defects. In addition, there is a substantial high-energy correction. This high-energy 'tail' covers largely the conduction band. The shape of the high-energy 'tail' strongly depends on the rate of electron-phonon relaxation but does not depend on the rates of recombination and trapping. We apply the theory to the calculation of a non-equilibrium distribution of electrons in irradiated GaN. Probabilities of optical excitations from the valence to conduction band and electron-phonon coupling probabilities in GaN were calculated by the density functional perturbation theory. Our calculation of both parts of distribution function in gallium nitride shows that when the speed of electron-phonon scattering is comparable with the rate of recombination and trapping then the contribution of the non-Fermi 'tail' is comparable with that of the low-energy Fermi-like component. So the high-energy contribution can affect essentially the charge transport in the irradiated and highly doped semiconductors.

cond-mat.mtrl-sci↗

arXiv2015

Inelastic Decay of Electrons in the Shockley-type Metal-Organic Interface States

We present a theoretical study of lifetimes of interface states (IS) on metal-organic interfaces PTCDA/Ag(111), NTCDA/Ag(111), PFP/Ag(111), and PTCDA/Ag(100), describing and explaining the recent experimental data. By means of unfolding the band structure of one of the interfaces under study onto the Ag(111) Brillouin zone we demonstrate, that the Brillouin zone folding upon organic monolayer deposition plays a minor role in the phase space for electron decay, and hence weakly affects the resulting lifetimes. The presence of the unoccupied molecular states below the IS gives a small contribution to the IS decay rate mostly determined by the change of the phase space of bulk states upon the energy shift of the IS. The calculated lifetimes follow the experimentally observed trends. In particular, we explain the trend of the unusual increase of the IS lifetimes with rising temperature.

cond-mat.mtrl-sci↗

arXiv2015

Non-Dirac topological surface states in (SnTe)$_{n\geq2}$(Bi$_2$Te$_3$)$_{m=1}$

A new type of topological spin-helical surface states was discovered in layered van der Waals bonded (SnTe)$_{n=2,3}$(Bi$_2$Te$_3$)$_{m=1}$ compounds which comprise two covalently bonded band inverted subsystems, SnTe and Bi$_2$Te$_3$, within a building block. This novel topological states demonstrate non-Dirac dispersion within the band gap. The dispersion of the surface state has two linear sections of different slope with shoulder feature between them. Such a dispersion of the topological surface state enables effective switch of the velocity of topological carriers by means of applying an external electric field.

cond-mat.mtrl-sci↗

arXiv2014

Ab initio lattice dynamics and electron-phonon coupling of Bi(111)

We present a comprehensive ab initio study of structural, electronic, lattice dynamical and electron-phonon coupling properties of the Bi(111) surface within density functional perturbation theory. Relativistic corrections due to spin-orbit coupling are consistently taken into account. As calculations are carried out in a periodic slab geometry, special attention is given to the convergence with respect to the slab thickness. Although the electronic structure of Bi(111) thin films varies significantly with thickness, we found that the lattice dynamics of Bi(111) is quite robust and appears converged already for slabs as thin as 6 bilayers. Changes of interatomic couplings are confined mostly to the first two bilayers, resulting in super-bulk modes with frequencies higher than the optic bulk spectrum, and in an enhanced density of states at lower frequencies for atoms in the first bilayer. Electronic states of the surface band related to the outer part of the hole Fermi surfaces exhibit a moderate electron-phonon coupling of about 0.45, which is larger than the coupling constant of bulk Bi. States at the inner part of the hole surface as well as those forming the electron pocket close to the zone center show much increased couplings due to transitions into bulk projected states near Gamma_bar. For these cases, the state dependent Eliashberg functions exhibit pronounced peaks at low energy and strongly deviate in shape from a Debye-like spectrum, indicating that an extraction of the coupling strength from measured electronic self-energies based on this simple model is likely to fail.

cond-mat.mtrl-sci↗

arXiv2014

Interface induced states at the boundary between a 3D topological insulator Bi$_2$Se$_3$ and a ferromagnetic insulator EuS

By means of relativistic density functional theory (DFT) calculations we study electron band structure of the topological insulator (TI) Bi$_2$Se$_3$ thin films deposited on the ferromagnetic insulator (FMI) EuS substrate. In the Bi$_2$Se$_3$/EuS heterostructure, the gap opened in the spectrum of the topological state has a hybridization character and is shown to be controlled by the Bi$_2$Se$_3$ film thickness, while magnetic contribution to the gap is negligibly small. We also analyzed the effect of Eu doping on the magnetization of the Bi$_2$Se$_3$ film and demonstrated that the Eu impurity induces magnetic moments on neighboring Se and Bi atoms an order of magnitude larger than the substrate-induced moments. Recent magnetic and magneto-transport measurements in EuS/Bi$_2$Se$_3$ heterostructure are discussed.

cond-mat.mtrl-sci↗

arXiv2014

Modeling Near-Surface Bound Electron States in Three-Dimensional Topological Insulator: Analytical and Numerical Approaches

We apply both analytical and ab-initio methods to explore heterostructures composed of a threedimensional topological insulator (3D TI) and an ultrathin normal insulator (NI) overlayer as a proof ground for the principles of the topological phase engineering. Using the continual model of a semi-infinite 3D TI we study the surface potential (SP) effect caused by an attached ultrathin layer of 3D NI on the formation of topological bound states at the interface. The results reveal that spatial profile and spectrum of these near-surface states strongly depend on both the sign and strength of the SP. Using ab-initio band structure calculations to take materials specificity into account, we investigate the NI/TI heterostructures formed by a single tetradymite-type quintuple or septuple layer block and the 3D TI substrate. The analytical continuum theory results relate the near-surface state evolution with the SP variation and are in good qualitative agreement with those obtained from density-functional theory (DFT) calculations. We predict also the appearance of the quasi-topological bound state on the 3D NI surface caused by a local band gap inversion induced by an overlayer.

cond-mat.mtrl-sci↗

arXiv2014

Spin-helical Dirac states in graphene induced by polar-substrate surfaces with giant spin-orbit interaction: a new platform for spintronics

Spintronics, or spin electronics, is aimed at efficient control and manipulation of spin degrees of freedom in electron systems. To comply with demands of nowaday spintronics, the studies of electron systems hosting giant spin-orbit-split electron states have become one of the most important directions providing us with a basis for desirable spintronics devices. In construction of such devices, it is also tempting to involve graphene, which has attracted great attention because of its unique and remarkable electronic properties and was recognized as a viable replacement for silicon in electronics. In this case, a challenging goal is to make graphene Dirac states spin-polarized. Here, we report on absolutely new promising pathway to create spin-polarized Dirac states based on coupling of graphene and polar-substrate surface states with giant Rashba-type spin-splitting. We demonstrate how the spin-helical Dirac states are formed in graphene deposited on the surface of BiTeCl. This coupling induces spin separation of the originally spin-degenerate graphene states and results in fully helical in-plane spin polarization of the Dirac electrons.

cond-mat.mtrl-sci↗

arXiv2013

Strong ferromagnetism at the surface of an antiferromagnet caused by buried magnetic moments

Carrying a large, pure spin magnetic moment of 7 $μ$bohr/atom in the half-filled 4f shell, divalent europium is an outstanding element for assembling novel magnetic devices in which a two-dimensional electron gas (2DEG) is polarized due to exchange interaction with an underlying magnetically-active Eu layer, even in the absence of a magnetic field. A natural example for such geometry is the intermetallic layered material EuRh$_2$Si$_2$, in which magnetically active layers of Eu are well separated from each other by non-magnetic Si-Rh-Si trilayers. Applying angle-resolved photoelectron spectroscopy (ARPES) to this system, we discovered a large spin splitting of a Shockley-type surface state formed by itinerant electrons of the Si-Rh-Si surface related trilayer. ARPES shows that the splitting sets in below approx. 32.5K and quickly saturates to around 150meV upon cooling. Interestingly, this temperature is substantially higher than the order temperature of the Eu 4f moments (approx. 24.5K) in the bulk. Our results clearly show that the magnetic exchange interaction between the surface state and the buried 4f moments in the 4th subsurface layer is the driving force for the formation of itinerant ferromagnetism at the surface. We demonstrate that the observed spin splitting of the surface state, reflecting properties of 2DEG, is easily controlled by temperature. Such a splitting may also be induced into states of functional surface layers deposited onto the surface of EuRh$_2$Si$_2$ or similarly ordered magnetic materials with metallic or semiconducting properties.

cond-mat.str-el↗

arXiv2013

The quasiparticle band gap in the topological insulator Bi2Te3

We present a theoretical study of dispersion of states which form the bulk band-gap edges in the three-dimensional topological insulator Bi2Te3. Within density functional theory, we analyze the effect of atomic positions varying within the error range of the available experimental data and approximation chosen for the exchange-correlation functional on the bulk band gap and k-space location of valence- and conduction-band extrema. For each set of the positions with different exchange-correlation functionals, we show how many-body corrections calculated within a one-shot GW approach affect the mentioned characteristics of electronic structure of Bi2Te3. We thus also illustrate to what degree the one-shot GW results are sensitive to the reference one-particle band structure in the case of bismuth telluride. We found that for this topological insulator the GW corrections enlarge the fundamental band gap and for certain atomic positions and reference band structure bring its value in close agreement with experiment.

cond-mat.mtrl-sci↗

arXiv2013

Exchange interaction and its tuning in magnetic binary chalcogenides

Using a first-principles Green's function approach we study magnetic properties of the magnetic binary chalcogenides Bi2Te3, Bi2Se3, and Sb2Te3. The magnetic coupling between transition-metal impurities is long-range, extends beyond a quintuple layer, and decreases with increasing number of d electrons per 3d atom. We find two main mechanisms for the magnetic interaction in these materials: the indirect exchange interaction mediated by free carriers and the indirect interaction between magnetic moments via chalcogen atoms. The calculated Curie temperatures of these systems are in good agreement with available experimental data. Our results provide deep insight into magnetic interactions in magnetic binary chalcogenides and open a way to design new materials for promising applications.

cond-mat.mtrl-sci↗

arXiv2013

Unoccupied topological surface state in Bi$_{2}$Te$_{2}$Se

Bias voltage dependent scattering of the topological surface state is studied by scanning tunneling microscopy/spectroscopy for a clean surface of the topological insulator Bi$_2$Te$_2$Se. A strong warping of constant energy contours in the unoccupied part of the spectrum is found to lead to a spin-selective scattering. The topological surface state persists to higher energies in the unoccupied range far beyond the Dirac point, where it coexists with the bulk conduction band. This finding sheds light on the spin and charge dynamics over the wide energy range and opens a way to designing opto-spintronic devices.

cond-mat.mes-hall↗

arXiv2013

Magnetic proximity effect in the 3D topological insulator/ferromagnetic insulator heterostructure

We theoretically study the magnetic proximity effect in the three dimensional (3D) topological insulator/ferromagnetic insulator (TI/FMI) structures in the context of possibility to manage the Dirac helical state in TI. Within continual approach based on the $\mathbf{kp}$ Hamiltonian we predict that, when 3D TI is brought into contact with 3D FMI, the ordinary bound state arising at the TI/FMI interface becomes spin polarized due to the orbital mixing at the boundary. Whereas the wave function of FMI decays into the TI bulk on the atomic scale, the induced exchange field, which is proportional to the FMI magnetization, builds up at the scale of the penetration depth of the ordinary interface state. Such the exchange field opens the gap at the Dirac point in the energy spectrum of the topological bound state existing on the TI side of the interface. We estimate the dependence of the gap size on the material parameters of the TI/FMI contact.

cond-mat.mtrl-sci↗

arXiv2013

Ab initio study of low-energy electronic collective excitations in bulk Pb: anisotropy and acoustic modes

A theoretical study of the dynamical dielectric response of bulk lead at low energies is presented. The calculations are performed with full inclusion of the electron band structure calculated by means of a first-principles pseudopotential approach. The effect of including the spin-orbit splittings in the band structure is analyzed, together with dynamical exchange-correlation and local-field effects. Excitations are studied in detail, showing the presence at small momenta of acoustic-like dispersing excitations. The character of these modes with sound-like dispersion depends on the direction of the momentum transfer q. In general results show strong anisotropy effects on the dielectric response of bulk Pb. Comparison with available optical experimental data shows good agreement.

cond-mat.mtrl-sci↗

arXiv2013

Many-body effects on the Rashba-type spin splitting in bulk bismuth tellurohalides

We report on many-body corrections to one-electron energy spectra of bulk bismuth tellurohalides---materials that exhibit a giant Rashba-type spin splitting of the band-gap edge states. We show that the corrections obtained in the one-shot $GW$ approximation noticeably modify the spin-orbit-induced spin splitting evaluated within density functional theory. We demonstrate that taking into account many-body effects is crucial to interpret the available experimental data.

cond-mat.mtrl-sci↗

arXiv2013

Quantum effects on the loss function of Pb(111) thin films: an ab initio study

A theoretical study of the surface energy-loss function of freestanding Pb(111) thin films is presented, starting from the single monolayer case. The calculations are carried applying the linear response theory, with inclusion of the electron band structure by means of a first-principles pseudopotential approach using a supercell scheme. Quantum-size effects on the plasmon modes of the thinnest films are found in qualitative agreement with previous work based on the jellium model. For thicker films, results show a dispersionless mode at all thicknesses, in agreeement with electron energy-loss measurements. For sizeable values of the momentum, the raising of the surface plasmon with increasing thickness is retrieved.

cond-mat.mtrl-sci↗

arXiv2013

Magnetic proximity effect at the 3D topological insulator/magnetic insulator interface

The magnetic proximity effect is a fundamental feature of heterostructures composed of layers of topological insulators and magnetic materials since it underlies many potential applications in devices with novel quantum functionality. Within density functional theory we study magnetic proximity effect at the 3D topological insulator/magnetic insulator (TI/MI) interface in Bi$_2$Se$_3$/MnSe(111) system as an example. We demonstrate that a gapped ordinary bound state which spectrum depends on the interface potential arises in the immediate region of the interface. The gapped topological Dirac state also arises in the system owing to relocation to deeper atomic layers of topological insulator. The gap in the Dirac cone is originated from an overlapping of the topological and ordinary interfacial states. This result being also corroborated by the analytic model, is a key aspect of the magnetic proximity effect mechanism in the TI/MI structures.

cond-mat.mtrl-sci↗

arXiv2013

Evidence for a direct band gap in the topological insulator Bi2Se3 from theory and experiment

Using angle-resolved photoelectron spectroscopy and ab-initio GW calculations, we unambiguously show that the widely investigated three-dimensional topological insulator Bi2Se3 has a direct band gap at the Gamma point. Experimentally, this is shown by a three-dimensional band mapping in large fractions of the Brillouin zone. Theoretically, we demonstrate that the valence band maximum is located at the Brillouin center only if many-body effects are included in the calculation. Otherwise, it is found in a high-symmetry mirror plane away from the zone center.

cond-mat.mtrl-sci↗