Results 91 to 100 of about 52,682 (202)

Impacts of cation ordering on bandgap dispersion of double perovskites

APL Materials, 2018
Double perovskites using dual metal cations are promising candidates for Pb-free perovskites. This study shows that the electronic structures of double perovskites (A2B+B3+X6) can be significantly modulated by cation ordering changes.
Jongseob Kim, Hyungjun Kim, Mahesh Chandran, Seung-Cheol Lee, Sang Hyuk Im, Ki-Ha Hong   +5 more
doaj   +1 more source

Machine learning-enhanced band gaps prediction for low-symmetry double and layered perovskites

Scientific Reports
Density functional theory (DFT) calculations are widely used for material property prediction, but their computational cost can hinder the discovery of novel perovskites.
Alireza Sabagh Moeini, Fatemeh Shariatmadar Tehrani, Alireza Naeimi-Sadigh   +2 more
doaj   +1 more source

Perovskite and perovskite-related iridates [PDF]

Acta Crystallographica Section A Foundations and Advances, 2018
openaire   +1 more source

Spin-polarized lasing in manganese doped perovskite microcrystals

Nature Communications
Spin-polarized lasers have demonstrated many superiorities over conventional lasers in both performance and functionalities. Hybrid organic-inorganic perovskites are emerging spintronic materials with great potential for advancing spin-polarized laser ...
Penghao Li, Zhonghao Zhou, Guangliu Ran, Tongjin Zhang, Zhengjun Jiang, Haidi Liu, Wenkai Zhang, Yongli Yan, Jiannian Yao, Haiyun Dong, Yong Sheng Zhao   +10 more
doaj   +1 more source

High pressure catalytic combustion [PDF]

, 2010
The study of catalyst behavior at pressure up to 12 bar during CH4, H2, CO and their mixtures combustion is the main purpose of this PhD thesis. Actually the interest towards catalytic combustion as an alternative route to produce electric power is ...
Barbato, Paola Sabrina
core  

Constructing density functional tight-binding parameters for electronic structure modeling of leadbromide perovskites, perovskitoids, and related structures

International audienceDensity Functional Tight-Binding (DFTB), a semi-empirical approach rooted in Density Functional Theory (DFT), is well-suited for simulating large periodic systems. Following [Jiang et al. Phys. Rev. Mater. 9, 023803 (2025)], we have
Quarti, Claudio, Even, Jacky, Thébaud, Simon, Pedesseau, Laurent, Raúl Lien-Medrano, Carlos, Fihey, Arnaud, van der Heide, Tammo, Aradi, Bálint, A. Sentef, Michael, Volonakis, George, Kepenekian, Mikael, Jiang, Junke, Zacharias, Marios, Katan, Claudine   +13 more
core   +1 more source

Investigation of geometric frustration in magnetic oxides [PDF]

, 2010
This thesis describes the experimental investigations of geometric frustration in magnetic oxides. The rare earth double perovskites Ba2HoSbO6 and Ba2ErSbO6 crystallise into the Fm3m cubic space group with the rare earth ions forming a face centred ...
Calder, S.
core  

Introduction: Perovskites [PDF]

Chemical Reviews, 2019
openaire   +2 more sources

Perovskite fever [PDF]

Nature Materials, 2014
openaire   +2 more sources

THz-Driven Coherent Phonon Fingerprints of Hidden Symmetry Breaking in 2D Layered Hybrid Perovskites

Metal-halide perovskites (MHPs) emerged as a family of novel semiconductors with outstanding optoelectronic properties for applications in photovoltaics and light emission. Recently, they also attract interest as promising candidates for spintronics.
Deleporte, Emmanuelle, Perfetti, Luca, Barros, Eduardo, Bedê, Trippé-Allard, Gaëlle, Maehrlein, Sebastian, F, Wolf, Martin, Spencer, Michael, S, Cherasse, Marie, Palacios, Charlotte, Berrezueta, Urban, Joanna, M, Frenzel, Maximilian, Minakova, Olga, Reich, Stephanie   +12 more
core   +1 more source