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.Comment: 8 pages, 5 figure

The role of surface plasmons in the decay of image-potential states on silver surfaces

The combined effect of single-particle and collective surface excitations in the decay of image-potential states on Ag surfaces is investigated, and the origin of the long-standing discrepancy between experimental measurements and previous theoretical predictions for the lifetime of these states is elucidated. Although surface-plasmon excitation had been expected to reduce the image-state lifetime, we demonstrate that the subtle combination of the spatial variation of s-d polarization in Ag and the characteristic non-locality of many-electron interactions near the surface yields surprisingly long image-state lifetimes, in agreement with experiment.Comment: 4 pages, 2 figures, to appear in Phys. Rev. Let

Acoustic surface plasmons in the noble metals Cu, Ag, and Au

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 surface-state band in these materials yields the existence of acoustic surface plasmons with linear dispersion at small wave vectors. Here we demonstrate that the sound velocity of these low-energy collective excitations, which had already been predicted to exist in the case of Be(0001), is dictated not only by the Fermi velocity of the two-dimensional surface-state band but also by the nature of the decay and penetration of the surface-state orbitals into the solid. Our linewidth calculations indicate that acoustic surface plasmons should be well defined in the energy range from zero to $\sim 400$ meV.Comment: 8 pages, two columns, 7 figures, to appear in Phys. Rev.

Interplay between exchange-split Dirac and Rashba-type surface states at the MnBi2Te4/BiTeI interface

Based on ab initio calculations, we study the electronic structure of the BiTeI/MnBi2Te4 heterostructure interface composed of the antiferromagnetic topological insulator MnBi2Te4 and the polar semiconductor trilayer BiTeI. We found a significant difference in the electronic properties of the different contacts between the substrate and overlayer. While the case of a Te-Te interface forms a natural expansion of the substrate, when the Dirac cone state locates mostly in the polar overlayer region and undergoes a slight exchange splitting, the Te-I contact is the source of a four-band state contributed by the substrate Dirac cone and Rashba-type state of the polar trilayer. Owing to magnetic proximity, the pair of Kramers degeneracies for this state is lifted, which produces a Hall response in the transport regime. We believe our findings provide new opportunities to construct novel spintronic devices

First principles quasiparticle damping rates in bulk lead

First principles calculations of the damping rates (inverse inelastic lifetimes) of low energy quasiparticles in bulk Pb are presented. Damping rates are obtained both for excited electrons and holes with energies up to 8 eV on a set of k vectors throughout the Brillouin zone (BZ). Strong localization effects in the calculated lifetimes are found. Averaged over the BZ inelastic lifetimes versus quasiparticle energy are reported as well. In addition, the effect of the spin-orbit induced splitting in the band structure on the calculated lifetimes in Pb is investigated.Comment: 10 pages, 8 figures, 5 table

Image states in metal clusters

The existence of image states in small clusters is shown, using a quantum-mechanical many-body approach. We present image state energies and wave functions for spherical jellium clusters up to 186 atoms, calculated in the GW approximation, where G is the Green's function and W is the dynamically screened Coulomb interaction, which by construction contains the dynamic long-range correlation effects that give rise to image effects. In addition, we find that image states are also subject to quantum confinement. To extrapolate our investigations to clusters in the mesoscopic size range, we propose a semiclassical model potential, which we test against our full GW results

Circular dichroism and superdiffusive transport at the surface of BiTeI

et al.We investigate the electronic states of BiTeI after the optical pumping with circularly polarized photons. Our data show that photoexcited electrons reach an internal thermalization within 300 fs of the arrival of the pump pulse. Instead, the dichroic contrast generated by the circularly polarized light relaxes on a time scale shorter than 80 fs. This result implies that orbital and spin polarization created by the circular pump pulse rapidly decays via manybody interaction. The persistent dichroism at longer delay times is due to the helicity dependence of superdiffussive transport. We ascribe it to the lack of inversion symmetry in an electronic system far from equilibrium conditions.We acknowledge that the FemtoARPES project was financially supported by the RTRA Triangle de la Physique, and the ANR program Chaires d’Excellence (Nr. ANR-08-CEXCEC8-011-01).Peer Reviewe

Strong spin-orbit splitting on Bi surfaces

Using first-principles calculations and angle-resolved photoemission, we show that the spin-orbit interaction leads to a strong splitting of the surface state bands on low-index surfaces of Bi. The dispersion of the states and the corresponding Fermi surfaces are profoundly modified in the whole surface Brillouin zone. We discuss the implications of these findings with respect to a proposed surface charge density wave on Bi(111) as well as to the surface screening, surface spin-density waves, electron (hole) dynamics in surface states, and to possible applications to the spintronics.Comment: 4 pages 2 figure