arXiv subjects

P. M. Echenique

Publications and source records attributed to P. M. Echenique.

At least 37 records · Page 2Linked to original sources

arXiv2010

Ab initio study of origin and properties of a metal-organic interface state of the PTCDA/Ag(111) system

We present a detailed study of a monolayer film of 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) on Ag(111) (the PTCDA/Ag(111) system). The study is done within density functional theory with the use of the periodic slab model. The slab is chosen to contain a PTCDA monolayer film on a silver thin film of different thicknesses (6, 9, and 12 layers) with the (111) orientation. We show that one of two surface states of the pure Ag(111) films transforms into an unoccupied interface state due to the adsorbate-substrate interaction. The relation of the resulting state to the unoccupied state that has been experimentally observed in the PTCDA/Ag(111) system by scanning tunneling and two photon photoemission spectroscopy is discussed.

cond-mat.mtrl-sci↗

arXiv2010

Potential Energy Landscape for hot electrons in periodically nanostructured graphene

We explore the spatial variations of the unoccupied electronic states of graphene epitaxially grown on Ru(0001) and observed three unexpected features: the first graphene image state is split in energy, unlike all other image states, the split state does not follow the local work function modulation, and a new interfacial state at +3 eV appears on some areas of the surface. These results show the system behaves as a self-organized periodic array of quantum dots.

cond-mat.mes-hall↗

arXiv2009

Ab initio calculation of low-energy collective charge-density excitations in MgB2

We present {\it ab-initio} time-dependent density-functional theory calculation results for low-energy collective electron excitations in $\textrm{MgB}_2$. The existence of a long-lived collective excitation corresponding to coherent charge density fluctuations between the boron $σ$- and $π$- bands ($σπ$ mode) is demonstrated. This mode has a sine-like oscillating dispersion for energies below 0.5 eV. At even lower energy we find another collective mode ($σσ$ mode). We show the strong impact of local-field effects on dielectric functions in MgB$_2$. These effects account for the long q-range behavior of the modes. We discuss the physics that these collective excitations bring to the energy region typical for lattice vibrations.

cond-mat.supr-con↗

arXiv2009

Theoretical study of ionization of an alkali atom adsorbed on a metal surface by laser assisted subfemtosecond pulse

The first numerical simulation of the process of ionization of an atom adsorbed on a metal surface by the subfemtosecond pulse is presented. The streaking scheme is considered, when a weak sub-femtosecond pulse comes together with a strong IR pulse with a variable delay between them. The problem is analyzed with numerical solving the non-stationary Schroedinger equation in the cylindrical coordinate. The results obtained are compared with ones in the gas phase. We show that the surface influences the DDCS, but the observation of this influence, beside the trivial polarization shift of the energy of the initial state, requires a quite high experimental resolution.

cond-mat.other↗

arXiv2009

One-dimensional model of streaking experiment in solids

One-dimensional model for study of sub--femtosecond experiment with metal surface is put forward. The important features of the system, such as the pseudopotential for electron motion in the metal bulk, abrupt decrease of the normal to the surface external electromagnetic field in the bulk, finite value of the mean free path for electrons in the metal, and action on the ejected electron by the (stationary) screened positive hole in the metal are included in the model. The results obtained reveal dependence of the streaking effect on the final energy of the ejected electron. Meanwhile, the dependence of the streaking on the character of the initial state (localized or delocalized) appears to be more pronounced. This result may provide an additional mechanism for interpretation of the results of very recent experiment [Cavalieri \emph{et.al}, NATURE \textbf{449} 1029-1032 2007 ].

cond-mat.other↗

arXiv2009

Quasiparticles for quantum dot array in graphene and the associated Magnetoplasmons

We calculate the low-frequency magnetoplasmon excitation spectrum for a square array of quantum dots on a two-dimensional (2D) graphene layer. The confining potential is linear in the distance from the center of the quantum dot. The electron eigenstates in a magnetic field and confining potential are mapped onto a 2D plane of electron-hole pairs in an effective magnetic field without any confinement. The tight-binding model for the array of quantum dots leads to a wavefunction with inter-dot mixing of the quantum numbers associated with an isolated quantum dot. For chosen confinement, magnetic field, wave vector and frequency, we plot the dispersion equation as a function of the period $d$ of the lattice. We obtain those values of $d$ which yield collective plasma excitations. For the allowed transitions between the valence and conduction bands in our calculations, we obtain plasmons when $d \lesssim 100 Å$.

cond-mat.mes-hall↗

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↗

arXiv2007

Direct resolution of unoccupied states in solids via two photon photoemission

Non-linear effects in photoemission are shown to open a new access to the band structure of unoccupied states in solids, totally different from hitherto used photoemission spectroscopy. Despite its second-order nature, strong resonant transitions occur, obeying exact selection rules of energy, crystal symmetry, and momentum. Ab-initio calculations are used to demonstrate that such structures are present in low-energy laser spectroscopy experimental measurements on Si previously published. Similar resonances are expected in ultraviolet angle-resolved photoemission spectra, as shown in a model calculation on Al.

cond-mat.other↗

arXiv2007

Self-energy and lifetime of Shockley and image states on Cu(100) and Cu(111): Beyond the GW approximation of many-body theory

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 $GW$ approximation of many-body theory. The self-energy is computed in the framework of the GWΓapproximation by including short-range exchange-correlation (XC) effects both in the screened interaction W (beyond the random-phase approximation) and in the expansion of the self-energy in terms of W (beyond the GW approximation). Exchange-correlation effects are described within time-dependent density-functional theory from the knowledge of an adiabatic nonlocal XC kernel that goes beyond the local-density approximation.

cond-mat.mtrl-sci↗

arXiv2007

Role of the electric field in surface electron dynamics above the vacuum level

Scanning tunneling spectroscopy (STS) is used to study the dynamics of hot electrons trapped on a Cu(100) surface in field emission resonances (FER) above the vacuum level. Differential conductance maps show isotropic electron interference wave patterns around defects whenever their energy lies within a surface projected band gap. Their Fourier analysis reveals a broad wave vector distribution, interpreted as due to the lateral acceleration of hot electrons in the inhomogeneous tip-induced potential. A line-shape analysis of the characteristic constant-current conductance spectra permits to establish the relation between apparent width of peaks and intrinsic line-width of FERs, as well as the identification of the different broadening mechanisms.

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

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↗

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

Dynamical response function of a compressed lithium monolayer

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, they have become an important object of study in Condensed Matter Physics. On the other hand, development of new techniques in the atomic manipulation allows the growth of atomic monolayers (ML's), therefore rising the interest to analyze low dimensional systems under different conditions. In particular, new \textit{ab initio} calculations performed for a lithium ML show that its electronic properties experience important modifications under pressure, which could lead to significant modifications in its dynamical response function. In this article we perform \textit{ab initio} calculations of the dynamical response function of a lithium ML analyzing its evolution with increasing applied pressure. We show that besides the well known intraband and interband plasmons, rising electronic density induces characteristic features of acoustic plasmons related to the presence of two types of carriers at the Fermi level.

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↗