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Related papers: Caloric Effects in Methylammonium Lead Iodide from…

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The exceptional optoelectronic properties of metal halide perovskites (MHPs) are presumed to arise, at least in part, from the peculiar interplay between the inorganic metal-halide sublattice and the atomic or molecular cations enclosed in…

The development of high efficiency perovskite solar cells has sparked a multitude of measurements on the optical properties of these materials. For the most studied methylammonium(MA)PbI$_3$ perovskite, a large range (6-55 meV) of exciton…

CsSnI3 is a promising eco-friendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we…

Materials Science · Physics 2023-02-10 Lorenzo Monacelli , Nicola Marzari

We have developed first-principles models, based on a general parametrization of the full potential-energy surface, to investigate the lattice-dynamical properties of perovskite oxides. We discuss the application of our method to prototypic…

Materials Science · Physics 2012-04-17 Jacek C. Wojdeł , Patrick Hermet , Mathias P. Ljungberg , Philippe Ghosez , Jorge Íñiguez

The magnetocaloric effect is the isothermal change of magnetic entropy and the adiabatic temperature change induced in a magnetic material when an external magnetic field is applied. In this work, we present an experimental setup to study…

Strongly Correlated Electrons · Physics 2015-05-30 Yamila Rotstein Habarnau , Pablo Bergamasco , Joaquin Sacanell , Gabriela Leyva , Cecilia Albornoz , Mariano Quintero

A first-principles based effective Hamiltonian is used within a molecular dynamics simulation to study the elastocaloric effect in PbTiO3. It is found that the transition temperature is a linear function of uniaxial tensile stress. Negative…

Materials Science · Physics 2015-01-19 Jordan A. Barr , Scott P. Beckman , Takeshi Nishimatsu

A semiclassical approach that incorporates quantum mechanical behavior of heat capacity in direct caloric effect simulations is proposed. Application of this methodology to study electrocaloric effect in prototypical ferroelectrics ${ \rm…

Computational Physics · Physics 2017-12-27 P. Jouzdani , S. Cuozzo , S. Lisenkov , I. Ponomareva

Mixed halide perovskites undergo phase segregation, manifested as spectral red-shifting of photoluminescence spectra under illumination. In the iodine-bromide mixed perovskites, the origin of the low-energy luminescence is related to…

Materials Science · Physics 2023-07-18 Grigorii Verkhogliadov , Ross Haroldson , Dmitry Gets , Anvar A. Zakhidov , Sergey V. Makarov

We study the electrocaloric effect in the classic ferroelectric BaTiO3 through a series of phase transitions driven by applied electric field and temperature. We find both negative and positive electrocaloric effects, with the negative…

Materials Science · Physics 2017-11-15 H. H. Wu , R. E. Cohen

In recent years, halide perovskite-based solar cells have received intensive attention, and demonstrated power conversion efficiency as high as 25.8%. With regard to the toxicity of Pb and the instability of organic elements, all inorganic…

Materials Science · Physics 2022-05-04 Dibyajyoti Saikia , Mahfooz Alam , Jayanta Bera , Atanu Betal , Appala Naidu Gandhi , Satyajit Sahu

Inorganic-organic lead halide perovskites, particularly methylammonium lead halide (MAPbI$_3$) perovskite, is perceived to be a promising material for optoelectronics and spintronics. However, lead toxicity and instability under air and…

Materials Science · Physics 2022-12-07 Megha Arya , Preeti Bhumla , Sajjan Sheoran , Suraj , S Bhattacharya

Solar to power conversion certified efficiencies of formamidinium lead iodide based single-junction perovskite solar cell is now 26%, all perovskite-perovskite tandem $\sim$28%, and the perovskite-silicon tandem solar cell is $\sim$34%…

Materials Science · Physics 2023-06-27 Paramvir Ahlawat

Two-dimensional hybrid organic-inorganic perovskites (HOIPs) have emerged as promising materials for light-emitting diode applications. In this study, by using time-of-flight neutron spectroscopy we identified and quantitatively separated…

Organic-inorganic halide perovskites, especially methylammonium lead halide, have recently led to a remarkable breakthrough in photovoltaic devices. However, due to the environmental and stability concerns of the heavy metal, lead, in these…

Materials Science · Physics 2015-09-29 Shijing Sun , Satoshi Tominaka , Jung-Hoon Lee , Fei Xie , Paul D. Bristowe , Anthony K. Cheetham

Recently, replacing or mixing organic molecules in the hybrid halide perovskites with the inorganic Cs or Rb cations has been reported to increase the material stability with the comparable solar cell performance. In this work, we…

Materials Science · Physics 2018-09-19 Un-Gi Jong , Chol-Jun Yu , Yun-Sim Kim , Yun-Hyok Kye , Chol-Ho Kim

We present a study of the magnetocaloric effect in La5/8-yPryCa3/8MnO3 (y=0.3) and Pr0.5Ca0.09Sr0.41MnO3 manganites. The low temperature state of both ystems is the result of a competition between the antiferromagnetic and ferromagnetic…

Strongly Correlated Electrons · Physics 2015-05-19 M. Quintero , J. Sacanell , L. Ghivelder , A. M. Gomes , A. G. Leyva , F. Parisi

Methylammonium lead iodide perovskites are considered direct bandgap semiconductors. Here we show that in fact they present a weakly indirect bandgap 60 meV below the direct bandgap transition. This is a consequence of spin-orbit coupling…

Hybrid organic-inorganic halide perovskites with the prototype material of CH$_{3}$NH$_{3}$PbI$_{3}$ have recently attracted intense interest as low-cost and high-performance photovoltaic absorbers. Despite the high power conversion…

Materials Science · Physics 2017-05-30 Xin-Gang Zhao , Ji-Hui Yang , Yuhao Fu , Dongwen Yang , Qiaoling Xu , Liping Yu , Su-Huai Wei , Lijun Zhang

Mixing iodide and bromide in halide perovskite semiconductors is an effective strategy to tune their bandgap, therefore mixed-halide perovskites hold great promise for color-tunable LEDs and tandem solar cells. However, the bandgap of…

Understanding and controlling the energy level alignment at interfaces between lead halide perovskites and electron transport layers is crucial for optimizing charge extraction by minimizing recombination losses in high-efficiency…

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