Search results for "photoelectron spectroscopy"

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…

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…

Electronic structure of the spin-12quantum magnet TiOCl

2005

We have studied the electronic structure of the spin-$1∕2$ quantum magnet TiOCl by polarization-dependent momentum-resolved photoelectron spectroscopy. From that, we confirm the quasi-one-dimensional nature of the electronic structure along the crystallographic $b$ axis and find no evidence for sizable phonon-induced orbital fluctuations as the origin for the noncanonical phenomenology of the spin-Peierls transition in this compound. A comparison of the experimental data to our own $\mathrm{LDA}+\mathrm{U}$ and Hubbard model calculations reveals a striking lack of understanding regarding the quasi-one-dimensional electron dispersions in the normal state of this compound.

Spin Polarimetry and Magnetic Dichroism on a Buried Magnetic Layer Using Hard X-ray Photoelectron Spectroscopy

2011

The spin-resolved electronic structure of buried magnetic layers is studied by hard X-ray photoelectron spectroscopy (HAXPES) using a spin polarimeter in combination with a high-energy hemispherical electron analyzer at the high-brilliance BL47XU beamline (SPring-8, Japan). Spin-resolved photoelectron spectra are analyzed in comparison with the results of magnetic linear and circular dichroism in photoelectron emission in the case of buried Co2FeAl0.5Si0.5 layers. The relatively large inelastic mean free path (up to 20 nm) of fast photoelectrons enables us to extend the HAXPES technique with electron-spin polarimetry and to develop spin analysis techniques for buried magnetic multilayers a…

Au-ZnO Nanocomposite Films for Plasmonic Photocatalysis

2015

Nanocomposites based on plasmonic nanoparticles and metal-oxide semiconductors are emerging as promising materials for conversion of solar energy into chemical energy. In this work, a Au–ZnO nanocomposite film with notably enhanced photocatalytic activity is successfully prepared by a single-step process. Both ZnO and Au nanoparticles are synthesized in situ during baking of the film spin-coated from a solution of Zn(CH3COO)2 and HAuCl4. Furthermore, it is shown that this precursor solution can be formulated as a nanoink for the generation of micropatterns by microplotter printing, opening the way for the miniaturization of devices with enhanced properties for photocatalysis, optoelectronic…

Valence bands of poly(methylmethacrylate) and photoion emission in vacuum ultraviolet region

1992

Photoion and photoelectron yields were measured for poly(methylmethacrylate) in the photon energy region of 8–40 eV using synchrotron radiation. Further, the valence‐band structure was investigated with ultraviolet photoelectron spectra and valence effective Hamiltonian calculations. A significant difference was observed between the photon energy dependencies of photoion and photoelectron yields. The threshold energy for photoion emission was found to be 10.5 eV, while that for photoelectron emission was 8.5 eV, indicating holes created near the valence‐band top do not contribute to the ion emission. At the higher‐energy region, the ion emission efficiency was found to be enhanced in the ph…