arXiv subjects

E. V. Chulkov

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

At least 91 records · Page 5Linked to original sources

arXiv2008

Band structure effects on the Be(0001) acoustic-surface-plasmon energy dispersion

We report first-principles calculations of acoustic surface plasmons on the (0001) surface of Be, as obtained in the random-phase approximation of many-body theory. The energy dispersion of these collective excitations has been obtained along two symmetry directions. Our results show a considerable anisotropy of acoustic surface plasmons, and underline the capability of experimental measurements of these plasmons to {\it map} the electron-hole excitation spectrum of the quasi two-dimensional Shockley surface state band that is present on the Be(0001) surface.

cond-mat.mtrl-sci↗

arXiv2006

Theory of surface plasmons and surface-plasmon polaritons

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 focus on a theoretical description of the many-body dynamical electronic response of solids, which underlines the existence of various collective electronic excitations at metal surfaces, such as the conventional surface plasmon, multipole plasmons, and the recently predicted acoustic surface plasmon. We also review existing calculations, experimental measurements, and applications.

cond-mat.mtrl-sci↗

arXiv2006

Experimental time-resolved photoemission and ab initio study of lifetimes of excited electrons in Mo and Rh

We have studied the relaxation dynamics of optically excited electrons in molybdenum and rhodium by means of time resolved two-photon photoemission spectroscopy (TR-2PPE) and ab initio electron self-energy calculations performed within the GW and GW+T approximations. Both theoretical approaches reproduce qualitatively the experimentally observed trends and differences in the lifetimes of excited electrons in molybdenum and rhodium. For excitation energies exceeding the Fermi energy by more than 1 eV, the GW+T theory yields lifetimes in quantitative agreement with the experimental results. As one of the relevant mechanisms causing different excited state lifetime in Mo and Rh we identify the occupation of the 4d bands. An increasing occupation of the 4d bands results in an efficient decrease of the lifetime even for rather small excitation energies of a few 100 meV.

cond-mat.other↗

arXiv2006

Structural determination of a low-symmetry surface by low-energy electron diffraction and ab initio calculations: Bi(110)

The surface structure of Bi(110) has been investigated by low-energy electron diffraction (LEED) intensity analysis and by first-principles calculations. Diffraction patterns at a sample temperature of 110 K and normal incidence reveal a bulk truncated (1$\times$1) surface without indication of any structural reconstruction despite the presence of dangling bonds on the surface layer. Good agreement is obtained between the calculated and measured diffraction intensities for this complex, low-symmetry surface containing only one mirror-plane symmetry element. No significant interlayer spacing relaxations are found. The Debye temperature for the surface layer is found to be lower than in the bulk, which is indicative of larger vibrational atomic amplitudes at the surface. Meanwhile, the second layer shows a Debye temperature close to the bulk value. The experimental results for the relaxations agree well with those of our first-principles calculation.

cond-mat.other↗

arXiv2006

Point-like spin-dependent interaction in calculations of self-energy ladder diagrams

An instantaneous and zero-range spin-dependent interaction, derived by summing an infinite number of electron-hole ladder diagrams within a local approximation, is analyzed as a function of the electron gas density and the relative spin polarization. The strength of such an interaction is defined by an integral of a statically screened Coulomb interaction with a spatially localized weighting factor. This weighting factor represents the mutually uncorrelated motion of an electron-hole pair in singlet or triplet spin states ($S^z=0,\pm1$). An implementation, based on a Yukawa-type interaction with a spin-polarization-dependent Thomas-Fermi screening length, is given.

cond-mat.other↗

arXiv2006

Multiple electron-hole scattering effect on quasiparticle properties in a homogeneous electron gas

We present a detailed study of a contribution of the T matrix accounting for multiple scattering between an electron and a hole to the quasiparticle self-energy. This contribution is considered as an additional term to the GW self-energy. The study is based on a variational solution of the T-matrix integral equation within a local approximation. A key quantity of such a solution, the local electron-hole interaction, is obtained at the small four-momentum transfer limit. Performed by making use of this limit form, extensive calculations of quasiparticle properties in the homogeneous electron gas over a broad range of electron densities are reported. We carry out an analysis of how the T-matrix contribution affects the quasiparticle damping rate, the quasiparticle energy, the renormalization constant, and the effective mass enhancement. We find that in comparison with the GW approximation the inclusion of the T matrix leads to an essential increase of the damping rate, a slight reduction of the GW band narrowing, a decrease of the renormalization constant at the Fermi wave vector, and some "weighting" of quasiparticles at the Fermi surface.

cond-mat.other↗

arXiv2005

Surface-electronic structure of La(0001) and Lu(0001)

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 signal is cut at the Fermi edge. This leads to significant uncertainties, when states are very close to the Fermi level. By performing low-temperature scanning tunneling spectroscopy and ab initio calculations, we study the surface-electronic structure of La(0001) and Lu(0001), and demonstrate that in this way detailed information on the surface-electronic structure very close to the Fermi energy can be derived with high accuracy.

cond-mat.mtrl-sci↗

arXiv2005

Induced Charge-Density Oscillations at Metal Surfaces

Induced charge-density (ICD) oscillations at the Cu(111) surface caused by an external impurity are studied within linear response theory. The calculation takes into account such properties of the Cu(111) surface electronic structure as an energy gap for three-dimensional (3D) bulk electrons and a $s-p_z$ surface state that forms two-dimensional (2D) electron system. It is demonstrated that the coexistence of these 2D and 3D electron systems has profound impact on the ICD in the surface region. In the case of a static impurity the characteristic ICD oscillations with the $1/ρ^2$ decay as a function of lateral distance, $ρ$, are established in both electron systems. For the impurity with a periodically time-varying potential, the novel dominant ICD oscillations which fall off like $\sim1/ρ$ are predicted.

cond-mat.soft↗

arXiv2005

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.

cond-mat.mtrl-sci↗

arXiv2005

Role of elastic scattering in electron dynamics at ordered alkali overlayers on Cu(111)

Scanning tunneling spectroscopy of p(2x2) Cs and Na ordered overlayers on Cu(111) reveals similar line widths of quasi two-dimensional quantum well states despite largely different binding energies. Detailed calculations show that 50% of the line widths are due to electron-phonon scattering while inelastic electron-electron scattering is negligible. A frequently ignored mechanism for ordered structures, i.e., enhanced elastic scattering due to Brillouin zone back folding, contributes the remaining width.

cond-mat.mtrl-sci↗

arXiv2005

Variational solution of the T-matrix integral equation

We present a variational solution of the T-matrix integral equation within a local approximation. This solution provides a simple form for the T matrix similar to Hubbard models but with the local interaction depending on momentum and frequency. By examining the ladder diagrams for irreducible polarizability, a connection between this interaction and the local-field factor is established. Based on the obtained solution, a form for the T-matrix contribution to the electron self-energy in addition to the GW term is proposed. In the case of the electron-hole multiple scattering, this form allows one to avoid double counting.

cond-mat.other↗

arXiv2004

Theory of acoustic surface plasmons

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 three-dimensional (3D) continuum. Here we present a model in which the screening of a semiinfinite 3D metal is incorporated into the description of electronic excitations in a 2D electron gas through the introduction of an effective 2D dielectric function. Our self-consistent calculations of the dynamical response of the 3D substrate indicate that an acoustic surface plasmon exists for all possible locations of the 2D sheet relative to the metal surface. This low-energy excitation, which exhibits linear dispersion at low wave vectors, is dictated by the nonlocality of the 3D dynamical response providing incomplete screening of the 2D electron-density oscillations.

cond-mat.mtrl-sci↗

arXiv2004

Surface plasmons in metallic structures

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 applied research, from surface dynamics to surface-plasmon microscopy, surface-plasmon resonance technology, and a wide range of photonic applications. Here we review the basic concepts underlying the existence of surface plasmons in metallic structures, and introduce a new low-energy surface collective excitation that has been recently predicted to exist.

cond-mat.mtrl-sci↗

arXiv2004

The role of the spin in quasiparticle interference

Quasiparticle interference patterns measured by scanning tunneling microscopy (STM) can be used to study the local electronic structure of metal surfaces and high temperature superconductors. Here, we show that even in non-magnetic systems the spin of the quasiparticles can have a profound effect on the interference patterns. On Bi(110), where the surface state bands are not spin-degenerate, the patterns are not related to the dispersion of the electronic states in a simple way. In fact, the features which are expected for the spin-independent situation are absent and the observed interference patterns can only be interpreted by taking spin-conserving scattering events into account.

cond-mat.other↗

arXiv2004

Self-consistent study of electron confinement to metallic thin films on solid surfaces

We present a method for density-functional modeling of metallic overlayers grown on metallic supports. It offers a tool to study nanostructures and combines the power of self-consistent pseudopotential calculations with the simplicity of a one-dimensional approach. The model is applied to Pb layers grown on the Cu(111) surface. More specifically, Pb is modeled as stabilized jellium and the Cu(111) substrate is represented by a one-dimensional pseudopotential that reproduces experimental positions of both the Cu Fermi level and the energy gap of the band structure projected along the (111) direction. The model is used to study the quantum well states in the Pb overlayer. Their analysis gives the strength of the electron confinement barriers at the interface and at the surface facing the vacuum. Our results and analysis support the interpretation of the quantum well state spectra measured by the scanning tunneling spectroscopy.

cond-mat.mes-hall↗

arXiv2004

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.

cond-mat.other↗

arXiv2004

Ultrafast electron dynamics in metals

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 recent achievements in the theoretical understanding of electron dynamics in metals, and focus on the theoretical description of the inelastic lifetime of excited hot electrons. We outline theoretical formulations of the hot-electron lifetime that is originated in the inelastic scattering of the excited {\it quasiparticle} with occupied states below the Fermi level of the solid. {\it First-principles} many-body calculations are reviewed. Related work and future directions are also addressed.

cond-mat.mtrl-sci↗

arXiv2004

Novel low-energy collective excitation at metal surfaces

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 low-energy acoustic plasmon with linear dispersion at small wave vectors. Since new modern spectroscopies are especially sensitive to surface dynamics near the Fermi level, the existence of surface-state induced acoustic plasmons is expected to play a key role in a large variety of new phenomena and to create situations with potentially new physics.

cond-mat.mtrl-sci↗