Electronic structures of CsPb(X x Y1–x )3 perovskites

Temperature and composition dependence of crystal structures and magnetic and electronic properties of the double perovskites

N. Narayanan,1,2,* D. Mikhailova,1,2 A. Senyshyn,1 D. M. Trots,3 R. Laskowski,4 P. Blaha,4 K. Schwarz,4 H. Fuess,1 and H. Ehrenberg1,2 1Institute for Materials Science, Darmstadt University of Technology, Petersenstr. 23, D-64287, Darmstadt, Germany 2Institute for Complex Materials, IFW Dresden, Helmholtzstr. 20, D-01069 Dresden, Germany 3Bayerisches Geoinstitut, Universität Bayreuth, D-95440 B...

Electronic Structure Study of Copper-containing Perovskites

Crystal and electronic structures of substituted halide perovskites based on density functional calculation and molecular dynamics

Durability of organo-lead halide perovskite are important issue for its practical application in a solar cells. In this study, using density functional theory (DFT) and molecular dynamics, we theoretically investigated a crystal structure, electronic structure, and ionic diffusivity of the partially substituted cubic MA0.5X0.5PbI3 (MA = CH3NH3+, X = NH4+ or (NH2)2CH+ or Cs+). Our calculation re...

Hyperbolicity of the family $f_c(x)=c(x-frac{x^3}{3})$

The aim of this paper is to present a proof of the hyperbolicity of the family $f_c(x)=c(x-frac{x^3}{3}), |c|>3$, on an its invariant subset of $mathbb{R}$.

Nanocrystals of Cesium Lead Halide Perovskites (CsPbX₃, X = Cl, Br, and I): Novel Optoelectronic Materials Showing Bright Emission with Wide Color Gamut.

Metal halides perovskites, such as hybrid organic-inorganic CH3NH3PbI3, are newcomer optoelectronic materials that have attracted enormous attention as solution-deposited absorbing layers in solar cells with power conversion efficiencies reaching 20%. Herein we demonstrate a new avenue for halide perovskites by designing highly luminescent perovskite-based colloidal quantum dot materials. We ha...