238 research outputs found
On a method to calculate conductance by means of the Wigner function: two critical tests
We have implemented the linear response approximation of a method proposed to
compute the electron transport through correlated molecules based on the
time-independent Wigner function [P. Delaney and J. C. Greer, \prl {\bf 93},
36805 (2004)]. The results thus obtained for the zero-bias conductance through
quantum dot both without and with correlations demonstrate that this method is
either quantitatively nor qualitatively able to provide a correct physical
escription of the electric transport through nanosystems. We present an
analysis indicating that the failure is due to the manner of imposing the
boundary conditions, and that it cannot be simply remedied.Comment: 22 pages, 7 figur
Antireflective nanotextures for monolithic perovskite silicon tandem solar cells
Recently, we studied the effect of hexagonal sinusoidal textures on the reflective properties of perovskite silicon tandem solar cells using the finite element method FEM . We saw that such nanotextures, applied to the perovskite top cell, can strongly increase the current density utilization from 91 for the optimized planar reference to 98 for the best nanotextured device period 500 nm and peak to valley height 500 nm , where 100 refers to the Tiedje Yablonovitch limit. [D. Chen et al., J. Photonics Energy 8, 022601, 2018 , doi 10.1117 1.JPE.8.022601] In this manuscript we elaborate on some numerical details of that work we validate an assumption based on the Tiedje Yablonovitch limit, we present a convergence study for simulations with the finite element method, and we compare different configurations for sinusoidal nanotexture
Facing the challenge of liquid phase crystallizing silicon on textured glass substrates
A major limitation in current liquid phase crystallized LPC silicon thin film record solar cells are optical losses caused by their planar glass silicon interface. In this study, silicon is grown on nanoimprinted periodically as well as on randomly textured glass substrates and successfully implemented into state of the art LPC silicon thin film solar cell stacks. By systematically varying every layer the whole sample stack is optimized regarding its anti reflection ability. Compared to an optimized planar reference device, a reduction of reflection losses by 3.5 absolute on the random and by 9.4 absolute on the periodic texture has been achieved in the wavelength range of interes
A theoretical study of the 1B2u and 1B1u vibronic bands in benzene
The two lowest bands, 1B2u and 1B1u, of the electronic spectrum of the benzene molecule have been studied theoretically using a new method to compute vibronic excitation energies and intensities. The complete active space (CAS) self-contained field (SCF) method (with six active π-orbitals) was used to compute harmonic force field for the ground state and the 1B2u and 1B1u electronic states. A linear approximation has been used for the transition dipole as a function of the nuclear displacement coordinates. Derivatives of the transition dipole were computed using a variant of the CASSCF state interaction method. Multiconfigurational second-order perturbation theory (CASPT2) was used to obtain absolute excitation energies (12 active π-orbitals). The results show that the approach works well. Vibrational progressions are well described in both bands and intensities, and energies are in agreement with experiment, in particular when CASPT2 derived geometries are used. One interesting result is that computed vertical energies fall about 0.1 eV on the high energy side of the band [email protected]
Centre-of-mass separation in quantum mechanics: Implications for the many-body treatment in quantum chemistry and solid state physics
We address the question to what extent the centre-of-mass (COM) separation
can change our view of the many-body problem in quantum chemistry and solid
state physics. It was shown that the many-body treatment based on the
electron-vibrational Hamiltonian is fundamentally inconsistent with the
Born-Handy ansatz so that such a treatment can never respect the COM problem.
Born-Oppenheimer (B-O) approximation reveals some secret: it is a limit case
where the degrees of freedom can be treated in a classical way. Beyond the B-O
approximation they are inseparable in principle. The unique covariant
description of all equations with respect to individual degrees of freedom
leads to new types of interaction: besides the known vibronic (electron-phonon)
one the rotonic (electron-roton) and translonic (electron-translon)
interactions arise. We have proved that due to the COM problem only the
hypervibrations (hyperphonons, i.e. phonons + rotons + translons) have true
physical meaning in molecules and crystals; nevertheless, the use of pure
vibrations (phonons) is justified only in the adiabatic systems. This fact
calls for the total revision of our contemporary knowledge of all non-adiabatic
effects, especially the Jahn-Teller effect and superconductivity. The vibronic
coupling is responsible only for removing of electron (quasi)degeneracies but
for the explanation of symmetry breaking and forming of structure the rotonic
and translonic coupling is necessary.Comment: 39 pages, 11 sections, 3 appendice
Smooth anti reflective three dimensional textures for liquid phase crystallized silicon thin film solar cells on glass
Recently, liquid phase crystallization of thin silicon films has emerged as a candidate for thin film photovoltaics. On 10 amp; 956;m thin absorbers, wafer equivalent morphologies and open circuit voltages were reached, leading to 13.2 record efficiency. However, short circuit current densities are still limited, mainly due to optical losses at the glass silicon interface. While nano structures at this interface have been shown to efficiently reduce reflection, up to now these textures caused a deterioration of electronic silicon material quality. Therefore, optical gains were mitigated due to recombination losses. Here, the SMooth Anti Reflective Three dimensional SMART texture is introduced to overcome this trade off. By smoothing nanoimprinted SiOx nano pillar arrays with spin coated TiOx layers, light in coupling into laser crystallized silicon solar cells is significantly improved as successfully demonstrated in three dimensional simulations and in experiment. At the same time, electronic silicon material quality is equivalent to that of planar references, allowing to reach Voc values above 630 mV. Furthermore, the short circuit current density could be increased from 21.0 mA cm amp; 8722;2 for planar reference cells to 24.5 mA cm amp; 8722;2 on SMART textures, a relative increase of 18 . External quantum efficiency measurements yield an increase for wavelengths up to 700 nm compared to a state of the art solar cell with 11.9 efficiency, corresponding to a jsc, EQE gain of 2.8 mA cm amp; 8722;
Low-energy unphysical saddle in polynomial molecular potentials
Vibrational spectra of polyatomic molecules are often obtained from a
polynomial expansion of the adiabatic potential around a minimum. For several
molecules, we show that such an approximation displays an unphysical saddle
point of comparatively small energy, leading to a region where the potential is
negative and unbounded. This poses an upper limit for a reliable evaluation of
vibrational levels. We argue that the presence of such saddle points is
general.Comment: The preprint version of the published Mol. Phys. paper, 19 pages, 3
figure
Technical design of the phase I Mu3e experiment
The Mu3e experiment aims to find or exclude the lepton flavour violating
decay at branching fractions above . A first
phase of the experiment using an existing beamline at the Paul Scherrer
Institute (PSI) is designed to reach a single event sensitivity of . We present an overview of all aspects of the technical design and
expected performance of the phase~I Mu3e detector. The high rate of up to
muon decays per second and the low momenta of the decay electrons and
positrons pose a unique set of challenges, which we tackle using an ultra thin
tracking detector based on high-voltage monolithic active pixel sensors
combined with scintillating fibres and tiles for precise timing measurements.Comment: 114 pages, 185 figures. Submitted to Nuclear Instruments and Methods
A. Edited by Frank Meier Aeschbacher This version has many enhancements for
better readability and more detail
Technical design of the phase I Mu3e experiment
The Mu3e experiment aims to find or exclude the lepton flavour violating decay μ→eee at branching fractions above 10−16. A first phase of the experiment using an existing beamline at the Paul Scherrer Institute (PSI) is designed to reach a single event sensitivity of 2⋅10−15. We present an overview of all aspects of the technical design and expected performance of the phase I Mu3e detector. The high rate of up to 108 muon decays per second and the low momenta of the decay electrons and positrons pose a unique set of challenges, which we tackle using an ultra thin tracking detector based on high-voltage monolithic active pixel sensors combined with scintillating fibres and tiles for precise timing measurements
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