Search results for "PHOTOELECTRON"

Influence ofsp−dhybridization on the electronic structure of Al-Mn alloys

2008

The influence of $sp\text{\ensuremath{-}}d$ hybridization on the electronic structure of different Al-Mn alloys has been studied by photoelectron spectroscopy. Experimental evidence of a pseudogap in a crystalline binary Hume-Rothery alloy is provided. The pseudogap varies systematically with Mn concentration. The $sp\text{\ensuremath{-}}d$ hybridization alone, even in the absence of Hume-Rothery mechanism, can produce the pseudogap. Existence of the pseudogap, suppression of the $\mathrm{Mn}\phantom{\rule{0.2em}{0ex}}2p$ satellite, and decrease in the Doniach-\ifmmode \check{S}\else \v{S}\fi{}unji\ifmmode \acute{c}\else \'{c}\fi{} asymmetry parameter are the consequences of the $sp\text{\e…

Iodine on a magnetized iron film evidence for a magnetic coupling

1993

Abstract Spin-resolved photoelectron spectra of iodine chemisorbed on a magnetized iron (110) surface have been taken using unpolarized VUV light. The partial spin spectra reveal the I 5p x and 5p z signals being split by up to 0.35 eV. This exchange splitting occurs due to hybridization of adsorbate and substrate bands as a consequence of the chemical bond of the halogen atoms to the iron surface.

Linear Dichroism in Photoemission from Oriented Molecules

1993

It is shown that oriented molecules reveal both Linear Dichroism (LD) and Linear Dichroism in the Angular Distribution (LDAD) of photoelectrons, which means a difference between photoelectron currents ejected at a definite angle by linearly polarized light of two mutually perpendicular polarizations. Measurements of LD and LDAD enable one to investigate the orientation of molecules and to make an essential step towards the complete quantummechanical experiment. As an example, LDAD in a model case of oriented heteronuclear diatomic molecules is presented.

Elucidation of constant current density molecular plating

2012

Abstract The production of thin layers by means of constant current or constant voltage electrolysis in organic media is commonly known as molecular plating. Despite the fact that this method has been applied for decades and is known to be among the most efficient ones for obtaining quantitative deposition, a full elucidation of the molecular plating is still lacking. In order to get a general understanding of the process and hence set the basis for further improvements of the method, constant current density electrolysis experiments were carried out in a mixture of isopropanol and isobutanol containing millimolar amounts of HNO 3 together with [Nd(NO 3 ) 3 ·6H 2 O] used as a model electrol…

Hard X-ray resonant electronic spectroscopy in transition metal oxides

2005

K-edge X-ray absorption and 2p-XPS spectra of 3d-element oxides present spectral features which cannot be explained within a simple one-electron model. These features reveal the fine electronic structure of transition metal (TM) oxides valence states resulting from hybridized TM-3d and O-2p states, and the correlations between these valence electrons. In this paper, we show how resonant electronic spectroscopy (resonant Auger or resonant photoelectron spectroscopy) around the TM K-edge can be used to interpret the structures of the threshold and, with the help of theoretical calculation, to determine the electronic configuration of the excited ion. Quadrupolar transitions towards localized …

Aluminum cluster anions: Photoelectron spectroscopy andab initiosimulations

2000

Atomic structures and geometries, electronic structure, and temperature-dependent photoelectron spectra of ${\mathrm{Al}}_{N}^{\ensuremath{-}} (N=19\ensuremath{-}102)$ clusters are studied both theoretically via ab initio local-density-functional simulations, and experimentally with high-resolution measurements. The use of a theoretically well-defined energy shift in conjunction with a generalized Koopmans' theorem enables direct comparisons between the calculated density of states and the experimental photoelectron spectrum. Such comparisons, using photoelectron spectra calculated for various relaxed cluster geometries, enables a determination of the optimal structures of the clusters. The…

A first-principles time-dependent density functional theory framework for spin and time-resolved angular-resolved photoelectron spectroscopy in perio…

2017

We present a novel theoretical approach to simulate spin, time, and angular-resolved photoelectron spectroscopy (ARPES) from first-principles that is applicable to surfaces, thin films, few layer systems, and low-dimensional nanostructures. The method is based on a general formulation in the framework of time-dependent density functional theory (TDDFT) to describe the real time-evolution of electrons escaping from a surface under the effect of any external (arbitrary) laser field. By extending the so-called t-SURFF method to periodic systems one can calculate the final photoelectron spectrum by collecting the flux of the ionization current trough an analyzing surface. The resulting approach…

2014

N-type CdO is a transparent conducting oxide (TCO) which has promise in a number of areas including solar cell applications. In order to realize this potential a detailed knowledge of the electronic structure of the material is essential. In particular, standard density functional theory (DFT) methods struggle to accurately predict fundamental material properties such as the band gap. This is largely due to the underestimation of the Cd 4d binding energy, which results in a strong hybridization with the valence-band (VB) states. In order to test theoretical approaches, comparisons to experiment need to be made. Here, synchrotron-radiation photoelectron spectroscopy (SR-PES) measurements are…

Radiation controlled energy of photoelectrons produced by two-color short pulses.

2008

We report on numerical results of energy spectra of photoelectrons emitted by irradiating a hydrogen atom with the superposition of two pulses. The spectra have been obtained by numerical integration of the time dependent Schr¨odinger equation. The highest frequency component of the pulse has been assumed to have low intensity and such a frequency that a single photon may ionize the atom. Its duration has been assumed to lie in the range of subfemtoseconds. The lowest frequency component that redistribute the energy of the ionized electrons has an higher intensity and duration of few femtoseconds. We find that when the field are aligned, the electron energy spectra strongly depend on the ti…

First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory

2018

We develop a first-principles simulation method for attosecond time-resolved photoelectron spectroscopy. This method enables us to directly simulate the whole experimental processes, including excitation, emission and detection on equal footing. To examine the performance of the method, we use it to compute the reconstruction of attosecond beating by interference of two-photon transitions (RABBITT) experiments of gas-phase Argon. The computed RABBITT photoionization delay is in very good agreement with recent experimental results from [Klünder et al., Phys. Rev. Lett. 106, 143002 (2011)] and [Guénot et al., Phys. Rev. A 85, 053424 (2012)]. This indicates the significance of a fully-consiste…