Related papers: Phonon-assisted optical absorption in BaSnO$_3$ fr…

Solution-processed, lead halide-based perovskite solar cells have overcome important challenges over the recent years, offering low-cost and high solar power conversion efficiencies. However, they still undergo unoptimized light collection…

The low thermal conductivity of piezoelectric perovskites is a challenge for high power transducer applications. We report first principles calculations of the thermal conductivity of ferroelectric PbTiO$_3$ and the cubic nearly…

Hybrid-halide perovskite (HHP) films exhibit exceptional photo-electric properties. These materials are utilized for highly efficient solar cells and photoconductive technologies. Both ion migration and polarization have been proposed as…

We report first principles density functional perturbation theory calculations and inelastic neutron scattering measurements of the phonon density of states, dispersion relations and electromechanical response of PbTiO3, BaTiO3 and SrTiO3.…

Due to their well-suited optoelectronic properties, metal halide perovskites are emerging semiconductor materials with potential applications in solar cells, detectors, and light-emitting diodes. Beyond the traditional 3D perovskites,…

We investigate the vibrational, optical, and electronic properties of insulating YbN thin films using Raman spectroscopy, Fourier-transform infrared spectroscopy, and electrical transport measurements, supported by density functional…

The one-photon absorption cross section of nanocrystals (NCs) of the inorganic perovskite CsPbBr$_{3}$ is studied theoretically using a multiband $\mathbf{k}\cdot\mathbf{p}$ envelope-function model combined with a treatment of intercarrier…

In this paper two-photon absorption coefficient $\beta$ and nonlinear refractive index ${n}_{2}$ have been measured at 1064 nm for a new two-dimensional (CH3(CH2)2NH3)2(CH3NH3)2Pb3Br10 hybrid perovskite. The nonlinear optical properties…

The topological Weyl semimetal CaSn3, belonging to the AuCu3 type cubic structure, is an important electronic system to investigate both from the point of view of fundamental physics and prospective applications. In this work, we have…

Structure, optical and electronic properties of predicted stables Perovskites ABX3 are calculated using DFT approach. The modified Becke-Johnson potential is also used to investigate electrical and optical properties. The density of states…

Perovskites with Bi or Pb on the A-site host a number of interesting and yet to be understood phenomena such as negative thermal expansion in BiNiO$_3$. We employ hard x-ray photoemission spectroscopy of Ni 2$p$ core-level as well as…

Efficient, low-noise, and high-bandwidth transduction between optical and microwave photons is key to long-range quantum communication between distant superconducting quantum processors. Recent demonstrations of microwave-optical…

Quantum transport properties in molecularly thin perovskite/graphene heterostructure are experimentally investigated by Shubnikov-de Hass (SdH) oscillation and photo-resistance spectroscopy. We find an efficient charge transfer between the…

Tin perovskites are the most promising environmentally friendly alternative to lead perovskites. Among tin perovskites, FASnI3 (CH4N2SnI3) shows optimum band gap, and easy processability. However, the performance of FASnI3 based solar cells…

The effect of Non-centrosymmetricity on electronic and optical properties has been investigated using grid based projector augmented wave method code GPAW. The calculation of band gap using GLLB-SC which improves on the exchange potential…

This article reviews the theory of electron-phonon interactions in solids from the point of view of ab-initio calculations. While the electron-phonon interaction has been studied for almost a century, predictive non-empirical calculations…

We perform first-principles calculations of optical properties for ferroelectric phase of $LiNbO_3$ crystal using density functional theory for wide range of wavelengths, from far-infrared to ultraviolet. We study frequency dependence of…

Layered halide perovskites exhibit remarkable optoelectronic properties and technological promise, driven by strongly bound excitons. The interplay of spin-orbit and exchange coupling creates a rich excitonic landscape, determining their…

We discovered that La-doped BaSnO3 with the perovskite structure has an unprecedentedly high mobility at room temperature while retaining its optical transparency. In single crystals, the mobility reached 320 cm^2(Vs)^-1 at a doping level…

Many semiconductors present weak or forbidden transitions at their fundamental band gaps, inducing a widened region of transparency. This occurs in high-performing n-type transparent conductors (TCs) such as Sn-doped In2O3 (ITO), however…