DOI > 10.5291/ILL-DATA.5-31-2685

This proposal is publicly available since 01/21/2025

Title

Crystal and magnetic structures of novel Cr(II)-containing hybrid perovskites

Abstract

Recently, theoretical calculations revealed the possibility of stabilizing Cr-substituted hybrid perovskites; the introduction of Cr(II) ions would not lead to an important cell distortion, while the energetic of the substitution process would induce new electronic states promoting an improved sunlight absorption. This prompted us to prepare Cr(II)-substituted samples in the series CH3NH3Pb1-xCrxBr3-2xCl2x (x= 0.25, 0.5). It is important to highlight that it is the first case of a perovskite framework containing Cr(II) ions. These ions are extremely unstable in solid state, since they are prone to oxidize to Cr3+. Cr(II) is a 3d4 ion, isoelectronic with Mn3+, and it is expected to induce Jahn-Teller-type distortions and interesting structural and magnetic features. The magnetic measurements show an overall antiferromagnetic behavior with a TN of 40 K, suggesting some canting of the Cr(II) magnetic moments. The aim of this proposal is to characterize and refine the crystal and magnetic structures of these two compounds in the 5-300 K range. The CH3NH3+ groups will certainly lose part of mobility and delocalization at low temperatures, due to orientational order-disorder phenomena.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

ALONSO Jose Antonio; ABIA SANZ Carmen; FERNANDEZ DIAZ Maria Teresa; C. A. López; MARTINEZ PENA Jose Luis; J.E. RODRIGUES and SERRANO Federico. (2019). Crystal and magnetic structures of novel Cr(II)-containing hybrid perovskites. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-31-2685

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Metadata

Experiment Parameters

  • Environment temperature

    5-300 K
  • Experiment energy

    1.594 A; 2.40 A

Sample Parameters

  • Formula

    • MAPb1-xCrx(Br,Cl)3, x= 0.25, 0.5
    • Co3AlSi3O12
    • Cs2AgSbCl6
    • CsPbBr3
    • CrSiTe3
    • P (black)