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

The mystery of relationship of mechanics and field in the many-body quantum world

We have revealed three fatal errors incurred from a blind transferring of quantum field methods into the quantum mechanics. This had tragic consequences because it produced crippled model Hamiltonians, unfortunately considered sufficient for a description of solids including superconductors. From there, of course, Fr\"ohlich derived wrong effective Hamiltonian, from which incorrect BCS theory arose. 1) Mechanical and field patterns cannot be mixed. Instead of field methods applied to the mechanical Born-Oppenheimer approximation we have entirely to avoid it and construct an independent and standalone field pattern. This leads to a new form of the Bohr's complementarity on the level of composite systems. 2) We have correctly to deal with the center of gravity, which is under the field pattern "materialized" in the form of new quasipartiles - rotons and translons. This leads to a new type of relativity of internal and external degrees of freedom and one-particle way of bypassing degeneracies (gap formation). 3) The possible symmetry cannot be apriori loaded but has to be aposteriori obtained as a solution of field equations, formulated in a general form without translational or any other symmetry. This leads to an utterly revised view of symmetry breaking in non-adiabatic systems, namely Jahn-Teller effect and superconductivity. These two phenomena are synonyms and share a unique symmetry breaking.Comment: 24 pages, 9 sections; remake of abstract, introduction and conclusion; more physics, less philosoph

Optical simulations of advanced light management for liquid phase crystallized silicon thin film solar cells

Light management is a key issue for highly efficient liquid phase crystallized silicon LPC Si thin film solar cells and can be achieved with periodic nanotextures. They are fabricated with nanoimprint lithography and situated between the glass superstrate and the silicon absorber. To combine excellent optical performance and LPC Si material quality leading to open circuit voltages exceeding 640 mV, the nanotextures must be smooth. Optical simulations of these solar cells can be performed with the finite element method FEM . Accurately simulating the optics of such layer stacks requires not only to consider the nanotextured glass silicon interface, but also to adequately account for the air glass interface on top of this stack. When using rigorous Maxwell solvers like the finite element method FEM , the air glass interface has to be taken into account a posteriori, because the solar cells are prepared on thick glass superstrates, in which light is to be treated incoherently. In this contribution we discuss two different incoherent a posteriori corrections, which we test for nanotextures between glass and silicon. A comparison with experimental data reveals that a first order correction can predict the measured reflectivity of the samples much better than an often applied zeroth order correctio

Band dispersion in the deep 1s core level of graphene

Chemical bonding in molecules and solids arises from the overlap of valence electron wave functions, forming extended molecular orbitals and dispersing Bloch states, respectively. Core electrons with high binding energies, on the other hand, are localized to their respective atoms and their wave functions do not overlap significantly. Here we report the observation of band formation and considerable dispersion (up to 60 meV) in the $1s$ core level of the carbon atoms forming graphene, despite the high C $1s$ binding energy of $\approx$ 284 eV. Due to a Young's double slit-like interference effect, a situation arises in which only the bonding or only the anti-bonding states is observed for a given photoemission geometry.Comment: 12 pages, 3 figures, including supplementary materia

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

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

Computation of conical intersections by using perturbation techniques

Multiconfigurational second-order perturbation theory, both in its single-state multiconfigurational second-order perturbation theory (CASPT2) and multistate (MS-CASPT2) formulations, is used to search for minima on the crossing seams between different potential energy hypersurfaces of electronic states in several molecular systems. The performance of the procedures is tested and discussed, focusing on the problem of the nonorthogonality of the single-state perturbative solutions. In different cases the obtained structures and energy differences are compared with available complete active space self-consistent field and multireference configuration interaction solutions. Calculations on different state crossings in LiF, formaldehyde, the ethene dimer, and the penta-2,4-dieniminium cation illustrate the discussions. Practical procedures to validate the CASPT2 solutions in polyatomic systems are explored, while it is shown that the application of the MS-CASPT2 procedure is not straightforward and requires a careful analysis of the stability of the results with the quality of the reference wave functions, that is, the size of the active [email protected] [email protected] [email protected]