We describe the evolution of the spectral density as we dope a Mott insulator within a dynamical mean field method. After giving an intuitive description of this Local Impurity Self-Consistent Approximation (LISA) for a model with several orbitals per unit cell, we illustrate its implementation in the context of the Hubbard model in infinite dimensions. For this purpose a new iterative perturba...

BACKGROUND There is a growing body of empirical evidence on demographic and psychosocial predictors of doping intentions and behaviors utilizing a variety of variables and conceptual models. However, to date there has been no attempt to quantitatively synthesize the available evidence and identify the strongest predictors of doping. OBJECTIVES Using meta-analysis, we aimed to (i) determine ef...

Attempts to dope halide perovskites (HaPs) extrinsically have been mostly unsuccessful. Still, oxygen (O2) is an efficient p-dopant for polycrystalline HaP films. To extent, this doping reversible, i.e., the films can be de-doped by decreasing O2 partial pressure. Here results are reported, aimed at understanding mechanism of such reversible doping, as it has argued that involves interaction wi...

Using rst-principles self-consistent electronic structure theory, we have calculated defect formation energies and defect energy levels in CuInSe2. Contrary to previously accepted assumptions in the analysis of defects in CuInSe2 we nd that (i) it is much easier to form Cu vacancy in CuInSe2 than to form cation vacancies in II-VI's. (ii) Defect formation energies vary considerably both with the...

Thermoelectric materials may contribute in the near future as new alternative sources of sustainable energy. Unprecedented thermoelectric properties in p-type SnSe single crystals have been recently reported, accompanied by extremely low thermal conductivity in polycrystalline samples. In order to enhance thermoelectric efficiency through proper tuning of this material we report a full structur...

In this work, we describe a room-temperature, solution-processable organic electron extraction layer (EEL) for high-performance planar heterojunction perovskite solar cells (PHJ PVSCs). This EEL is composed of a bilayered fulleropyrrolidinium iodide (FPI)-polyethyleneimine (PEIE) and PC61BM, which yields a promising power conversion efficiency (PCE) of 15.7% with insignificant hysteresis. We re...

A simple surface band structure and a large bulk band gap have allowed Bi2Se3 to become a reference material for the newly discovered three-dimensional topological insulators, which exhibit topologically protected conducting surface states that reside inside the bulk band gap. Studying topological insulators such as Bi2Se3 in nanostructures is advantageous because of the high surface-to-volume ...