Related papers: Phonon-assisted optical absorption in BaSnO$_3$ fr…
The electronic properties of ABX3 (A = Cs, CH3NH3, NH2CHNH2; B = Sn, Pb; X = Cl, Br, I) type compounds in the cubic phase are systematically studied using the first-principles calculations. We find that these compounds have direct band gaps…
Wide-bandgap perovskite stannates are of interest for the emergent all-oxide transparent electronic devices due to their unparalleled room temperature electron mobility. Considering the advantage of amorphous material in integrating with…
First-principles molecular dynamics simulations have been employed to analyze the proton diffusion in cubic BaZrO3 perovskite at 1300K, and a non-linear effect of an applied isometric strain of 2% on the lattice parameter has been observed.…
The infrared transmission measurement was performed for a two-dimensional spin-orbit coupling induced Mott insulator Sr$_{2}$IrO$_{4}$ with a layered-perovskite structure. A phonon-assisted magnon mode was observed at around 1870 cm$^{-1}$…
Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at…
We report on the optical properties of undoped single crystal LaMnO_3, the parent compound of the colossal magneto-resistive manganites. Near-Normal incidence reflectance measurements are reported in the frequency range of 20-50,000 cm-1…
Perovskite oxides containing transition metals are promising materials in a wide range of electronic and electrochemical applications. However, neither their work function values nor an understanding of their work function physics have been…
We present a systematic investigation of the role and importance of excitonic effects on the optical properties of transitions metal oxide perovskites. A representative set of fourteen compounds has been selected, including 3$d$ (SrTiO$_3$,…
Within a recently proposed variational approach it has been shown that, in $La_{1-x}A_xMnO_3$ perovskites with $0<x<0.5$, near the metal-insulator transition, the combined effect of the magnetic and electron-phonon interactions pushes the…
Solid solutions of perovskite oxides (KNbO3)1-x+(La2NiMnO6)x (x=0, 0.1, 0.2 and 0.3) with a variation of band gap (1.33-3.6 eV) have been introduced as a promising photovoltaic absorber. The structural characterization of the prepared…
Temperature dependent (4K-300K) photoluminescence and transmission spectra are analyzed to study the effect of changing the different components of a perovskite compound, be it A, B, or X. Four different films are compared: FAMAPbSnI3,…
BaZrS3 is a chalcogenide perovskite that has shown promise as a photovoltaic absorber, but its performance is limited because of defects and impurities that have a direct influence on carrier concentrations. Functional dopants that show…
Organic-inorganic hybrid halide perovskites have ignited tremendous interests for photovoltaic applications. However, their nonlinear optical response has not been studied although many of these structures lack the centrosymmetry and…
The coupling of atomic vibrations to electronic excitations - traditionally understood to be a source of energy loss in semiconductors - has recently been explored in photosynthetic light harvesting as a means to circumvent dissipation by…
Antiperovskite derivatives have emerged as promising candidates for optoelectronic applications. However, due to the significant computational cost, their excitonic and polaronic properties remain underexplored despite being critical for…
We investigate the physical properties of the Ba$_{1-x}$K$_x$BiO$_3$ compounds with a focus on the optical properties. Results from the simple Holstein model, describing a single band coupled to an oxygen breathing mode with parameters…
Exploring the conduction mechanism in the chalcogenide perovskite BaZrS$_3$ is of significant interest due to its potential suitability as a top absorber layer in silicon-based tandem solar cells and other optoelectronic applications.…
In a combined theoretical and experimental work, we investigate X-ray Absorption Near-Edge Structure (XANES) spectroscopy of the I $L_3$ and the Pb $M_5$ edges of the methylammonium lead iodide ($\textrm{MAPbI}_3$) hybrid inorganic-organic…
Atomic dynamics takes a fundamental part in numbers of physical properties of solids like high-Tc superconductivity, semiconducting transports, and thermoelectricity. Perovskite CH3NH3PbI3 exhibits outstanding photovoltaic performances, but…
Two-dimensional (2D) layered metal dichalcogenides constitute a promising class of materials for photodetector applications due to their excellent optoelectronic properties. The most common photodetectors, which work on the principle of…