Search results for "Free electron model"
showing 10 items of 36 documents
On the shell structure and geometry of monovalent metal clusters
1991
The Huckel model is used to study the electronic structure of monovalent metal clusters. In an fcc cluster the Huckel model gives an estimate to the electronic structure of a free electron cluster. It is shown that the surface faceting of the fcc cluster can destroy the electronic shell structure already when the cluster has about 100 electrons. In the Huckel model the icosahedral structure has smaller total energy than the fcc structures, from which the Wulff construction has the smallest energy already when the cluster has 600 atoms.
Electronic Shell Structure in Icosahedral Metal Clusters
1992
The shell structure of valence electrons in icosahedral and cuboctahedral simple metal clusters is studied using the free electron model and the Huckel model. The shell structure in a 1415 atom icosahedral cluster has still similarities with that of a spherical cluster. The effect of the finite temperature on the shell structure in liquid clusters is discussed.
High-pressure lattice dynamics in wurtzite and rocksalt indium nitride investigated by means of Raman spectroscopy
2013
We present an experimental and theoretical lattice-dynamical study of InN at high hydrostatic pressures. We perform Raman scattering measurements on five InN epilayers, with different residual strain and free electron concentrations. The experimental results are analyzed in terms of ab initio lattice-dynamical calculations on both wurtzite InN (w-InN) and rocksalt InN (rs-InN) as a function of pressure. Experimental and theoretical pressure coefficients of the optical modes in w-InN are compared, and the role of residual strain on the measured pressure coefficients is analyzed. In the case of the LO band, we analyze and discuss its pressure behavior considering the double-resonance mechanis…
How does graphene enhance the photoelectric conversion efficiency of dye sensitized solar cells? An insight from a theoretical perspective
2019
The main goal of this work is to clearly answer the question from a theoretical perspective: how does graphene enhance the photoelectric conversion efficiency in the semiconducting layer of a dye sensitized solar cell? Several arrangements of the graphene layer between the dye molecule and the TiO2 (101) surface are carefully studied and discussed. The dynamic interfacial electron propagations are simulated with consideration of the underlying nuclear motion effect. Theoretical investigation shows that graphene can speed up the electron injection from the dye molecules to the semiconductor layer, only when the graphene sheet is bonded to the TiO2 surface via C–Ti bonds. The excited electron…
Miniature magnetic devices for laser-based, table-top free-electron lasers
2007
Truly table-top sized radiation sources based on compact laser-plasma accelerators require compact and strong focusing devices and efficient short-period undulators. Complementing our recent theoretical work on the feasibility of a table-top FEL, we here present the design and successful experimental characterizations of a 5 mm period length undulator and miniature quadrupole magnets with field gradients of the order of $500\text{ }\text{ }\mathrm{T}/\mathrm{m}$.
Thermoactivated spectroscopy of heterovalent impurity traps in CdWO4
1995
Abstract Recombination luminescence emission spectra, TSL and trap spectra estimated by fractional glow technique (FGT), in nominally pure and Li-, Bi- and Ho-doped CdWO4, crystals are reported. According to the investigations by FGT heterovalent impurities Li, Bi and Ho causes localized electronic states which act as traps for charge carriers. It is shown that TSL results in emission of known blue-green luminescence band by emptying of the Li+-related traps in CdWO4-Li and yellow luminescence band by emptying of the Bi3+-related traps in CdWO4-Bi. It is proposed that blue-green and yellow luminescence occur by recombination correspondingly of free holes and free electrons at different intr…
Edge-dependent selection rules in magic triangular graphene flakes
2008
The electronic shell and supershell structure of triangular graphene quantum dots has been studied using density functional and tight-binding methods. The density functional calculations demonstrate that the electronic structure close to the Fermi energy is correctly described with a simple tight-binding model, where only the ${p}_{z}$ orbitals perpendicular to the graphene layer are included. The results show that (i) both at the bottom and at the top of the ${p}_{z}$ band, a supershell structure similar to that of free electrons confined in a triangular cavity is seen, (ii) close to the Fermi level, the shell structure is that of free massless particles, (iii) triangles with armchair edge…
Correction of the deterministic part of space–charge interaction in momentum microscopy of charged particles
2015
Abstract Ultrahigh spectral brightness femtosecond XUV and X-ray sources like free electron lasers (FEL) and table-top high harmonics sources (HHG) offer fascinating experimental possibilities for analysis of transient states and ultrafast electron dynamics. For electron spectroscopy experiments using illumination from such sources, the ultrashort high-charge electron bunches experience strong space–charge interactions. The Coulomb interactions between emitted electrons results in large energy shifts and severe broadening of photoemission signals. We propose a method for a substantial reduction of the effect by exploiting the deterministic nature of space–charge interaction. The interaction…
Drift velocity of free electrons in liquid argon
1999
Abstract A measurement of the drift velocity of free electrons in liquid argon has been performed. Free electrons have been produced by photoelectric effect using laser light in a so-called “laser chamber”. The results on the drift velocity vd are given as a function of the electric field strength in the range 0.5 kV / cm ⩽| E |⩽12.6 kV / cm and the temperature in the range 87 K ⩽T⩽94 K . A global parametrization of v d (| E |,T) has been fitted to the data. A temperature dependence of the electron drift velocity is observed, with a mean value of Δ v d /( Δ T v d )=(−1.72±0.08)%/ K in the range of 87–94 K.
Effects of wave function correlations on scaling violation in quasi-free electron scattering
1981
Abstract The scaling law in quasi-free electron scattering is broken due to the existence of exchange forces, leading to a finite mean value of the scaling variable y . This effect is considerably increased by wave function correlations, in particular by tensor correlations, similar to the case of the photonuclear enhancement factor κ.