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Topological magnetic materials of the (MnSbTe)(SbTe) van der Waals compounds family
S. V. Eremeev, I. P. Rusinov, Yu. M. Koroteev +6
Combining robust magnetism, strong spin-orbit coupling and unique thickness-dependent properties of van der Waals crystals could enable new spintronics applications. Here, using de…
Theory of Spin-Dependent Electron Transfer Dynamics at Ar/Co(0001) and Ar/Fe(110) Interfaces
Moritz Müller, Pedro Miguel Echenique, Daniel Sánchez-Portal
Recent core-hole-clock experiments [Phys. Rev. Lett. , 086801 (2014)] showed that the spin dependence of electron injection times at Ar/Co(0001) and Ar/Fe(110) interf…
Variety of magnetic topological phases in the (MnBiTe)(BiTe) family
I. I. Klimovskikh, M. M. Otrokov, D. Estyunin +23
Quantum states of matter combining non-trivial topology and magnetism attract a lot of attention nowadays; the special focus is on magnetic topological insulators (MTIs) featuring…
Unique thickness-dependent properties of the van der Waals interlayer antiferromagnet films
Mikhail M. Otrokov, Igor P. Rusinov, María Blanco-Rey +7
Using density functional theory and Monte Carlo calculations, we study the thickness dependence of the magnetic and electronic properties of a van der Waals interlayer antiferromag…
Highly-ordered wide bandgap materials for quantized anomalous Hall and magnetoelectric effects
Mikhail M. Otrokov, Tatiana V. Menshchikova, Maia G. Vergniory +8
An interplay of spin-orbit coupling and intrinsic magnetism is known to give rise to the quantum anomalous Hall and topological magnetoelectric effects under certain conditions. Th…
Electron-phonon relaxation and excited electron distribution in gallium nitride
V. P. Zhukov, V. G. Tyuterev, P. M. Echenique +1
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 dis…
Propagation of the photoelectron wave packet in an attosecond streaking experiment
E. E. Krasovskii, C. Friedrich, W. Schattke +1
Laser-assisted photoemission from a solid is considered within a numerically exactly solvable one-dimensional model of a crystal. The effect of the inelastic scattering and of the…
Non-Dirac topological surface states in (SnTe)(BiTe)
S. V. Eremeev, T. V. Menshchikova, I. V. Silkin +3
A new type of topological spin-helical surface states was discovered in layered van der Waals bonded (SnTe)(BiTe) compounds which comprise two covalently…
Modeling Near-Surface Bound Electron States in Three-Dimensional Topological Insulator: Analytical and Numerical Approaches
V. N. Men'shov, V. V. Tugushev, T. V. Menshchikova +3
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) overl…
Spin-helical Dirac states in graphene induced by polar-substrate surfaces with giant spin-orbit interaction: a new platform for spintronics
S. V. Eremeev, I. A. Nechaev, P. M. Echenique +1
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…
Low coverage surface diffusion in complex energy landscapes: Analytical solution and application to intercalation in topological insulators
Miguel A. Gosalvez, Mikhail M. Otrokov, Nestor Ferrando +4
A general expression is introduced for the tracer diffusivity in complex periodic energy landscapes with more than one distinct hop rate in two- and three-dimensional diluted syste…
Ideal two-dimensional electron systems with a giant Rashba-type spin splitting in real materials: surfaces of bismuth tellurohalides
Sergey V. Eremeev, Ilya A. Nechaev, Yury M. Koroteev +2
Spintronics is aimed at active controlling and manipulating the spin degrees of freedom in semiconductor devices. A promising way to achieve this goal is to make use of the tunable…
sp magnetism in clusters of gold-thiolates
A. Ayuela, P. Crespo, M. A. García +2
Using calculations from first principles, we herein consider the bond made between thiolat e with a range of different Au clusters, with a particular focus on the spin moments inv…
Self-energy and lifetime of Shockley and image states on Cu(100) and Cu(111): Beyond the GW approximation of many-body theory
M. G. Vergniory, J. M. Pitarke, P. M. Echenique
We report many-body calculations of the self-energy and lifetime of Shockley and image states on the (100) and (111) surfaces of Cu that go beyond the approximation of many-bo…
Theory of surface plasmons and surface-plasmon polaritons
J. M. Pitarke, V. M. Silkin, E. V. Chulkov +1
Collective electronic excitations at metal surfaces are well known to play a key role in a wide spectrum of science, ranging from physics and materials science to biology. Here we…
Surface-electronic structure of La(0001) and Lu(0001)
D. Wegner, A. Bauer, Yu. M. Koroteev +4
Most spectroscopic methods for studying the electronic structure of metal surfaces have the disadvantage that either only occupied or only unoccupied states can be probed, and the…
Dynamical response function of a compressed lithium monolayer
A. Rodriguez-Prieto, V. M. Silkin, A. Bergara +1
Since recent both theoretical and experimental results have proved that the simple behaviour light alkaline metals present at equilibrium breaks when high pressures are applied, th…
Acoustic surface plasmons in the noble metals Cu, Ag, and Au
V. M. Silkin, J. M. Pitarke, E. V. Chulkov +1
We have performed self-consistent calculations of the dynamical response of the (111) surface of the noble metals Cu, Ag, and Au. Our results indicate that the partially occupied s…
Theory of acoustic surface plasmons
J. M. Pitarke, V. U. Nazarov, V. M. Silkin +3
Recently, a novel low-energy collective excitation has been predicted to exist at metal surfaces where a quasi two-dimensional (2D) surface-state band coexists with the underlying…
Surface plasmons in metallic structures
J. M. Pitarke, V. M. Silkin, E. V. Chulkov +1
Since the concept of a surface collective excitation was first introduced by Ritchie, surface plasmons have played a significant role in a variety of areas of fundamental and appli…
Exchange and correlation effects in the relaxation of hot electrons in noble metals
I. G. Gurtubay, J. M. Pitarke, P. M. Echenique
We report extensive first-principles calculations of the inelastic lifetime of low-energy electrons in the noble metals Cu, Ag, and Au. The quasiparticle self-energy is computed wi…
Ultrafast electron dynamics in metals
J. M. Pitarke, V. P. Zhukov, R. Keyling +2
During the last decade, significant progress has been achieved in the rapidly growing field of the dynamics of {\it hot} carriers in metals. Here we present an overview of the rece…
Novel low-energy collective excitation at metal surfaces
V. M. Silkin, A. Garcia-Lekue, J. M. Pitarke +3
A novel collective excitation is predicted to exist at metal surfaces where a two-dimensional surface-state band coexists with the underlying three-dimensional continuum. This is a…
Electron-phonon interaction at the Be(0001) surface
A. Eiguren, S. de Gironcoli, E. V. Chulkov +2
We present a first principle study of the electron-phonon (e-p) interaction at the Be(0001) surface. The real and imaginary part of the e-p self energy are calculated for the surfa…