AI Article Synopsis
- Vacancy-ordered double perovskites are gaining interest for their unique chemical properties and potential applications in optoelectronics.
- The study focuses on two series of ruthenium halides (RuCl and RuBr), with varying A cations (K, NH, Rb, Cs), revealing that changes in these cations and halides affect their optical properties and spin-orbit coupling.
- Findings indicate that larger A cations lead to higher ligand-to-metal charge transfer energies and wider band gaps, while the systems exhibit temperature-dependent magnetic moments due to a non-magnetic ground state influenced by spin-orbit coupling and covalency.
Article Abstract
Vacancy-ordered double perovskites are attracting significant attention due to their chemical diversity and interesting optoelectronic properties. With a view to understanding both the optical and magnetic properties of these compounds, two series of Ru halides are presented; A RuCl and A RuBr , where A is K, NH , Rb or Cs. We show that the optical properties and spin-orbit coupling (SOC) behavior can be tuned through changing the A cation and the halide. Within a series, the energy of the ligand-to-metal charge transfer increases as the unit cell expands with the larger A cation, and the band gaps are higher for the respective chlorides than for the bromides. The magnetic moments of the systems are temperature dependent due to a non-magnetic ground state with J =0 caused by SOC. Ru-X covalency, and consequently, the delocalization of metal d-electrons, result in systematic trends of the SOC constants due to variations in the A cation and the halide anion.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/anie.202013383 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!