Electronic Structure and Stability of Cs2TiX6 and Cs2ZrX6 (X = Br, I) Vacancy Ordered Double Perovskites

Along the past few years, the vacancy-ordered halide double perovskites (VOHDP) have been extensively investigated as promising candidates for various optoelectronic applications. Among these compounds, Cs2TiBr6 and Cs2TiI6 are VOHDP that have been successfully synthesised, and are reported to be interesting photo-active materials with band-gaps well within the visible range (1.02-2.00 eV) and potentially good carrier transport properties.

Domaines

Chimie Physique [physics]

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https://hal.science/hal-03500075

Soumis le : mardi 21 décembre 2021-18:45:49

Dernière modification le : jeudi 17 octobre 2024-11:46:04

Dates et versions

hal-03500075 , version 1 (21-12-2021)

Identifiants

HAL Id : hal-03500075 , version 1
ARXIV : 2109.04936
DOI : 10.29363/nanoge.nfm.2021.196

Citer

Bruno Cucco, Gaëlle Bouder, Laurent Pedesseau, Claudine Katan, Jacky Even, et al.. Electronic Structure and Stability of Cs2TiX6 and Cs2ZrX6 (X = Br, I) Vacancy Ordered Double Perovskites. nanoGe Fall Meeting 2021, Oct 2021, Online, France. ⟨10.29363/nanoge.nfm.2021.196⟩. ⟨hal-03500075⟩

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UNIV-RENNES1 CNRS INSA-RENNES FOTON FOTON-INSA ISCR FOTON_OHM ISCR-CTI INC-CNRS UR1-UFR-SPM UR1-MATH-STIC UNIV-RENNES INSA-GROUPE UR1-MATH-NUM UR1-MMS

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