Quantum materials with strong spin–orbit coupling: challenges and opportunities for materials chemists

AJ Browne, A Krajewska, AS Gibbs - Journal of Materials Chemistry C, 2021 - pubs.rsc.org
Spin–orbit coupling is a quantum effect that can give rise to exotic electronic and magnetic
states in the compounds of the 4d and 5d transition metals. Exploratory synthesis, chemical …

Review of progress in the materials development of Re, Os, and Ir-based double perovskite oxides

J Chen, HL Feng, K Yamaura - Materials Today Physics, 2024 - Elsevier
In this review, we examine the latest experimental advances in materials science, focusing
primarily on 5d transition metal-based double perovskite oxides, particularly rhenium (Re) …

Cs1–xRbxPbCl3 and Cs1–xRbxPbBr3 Solid Solutions: Understanding Octahedral Tilting in Lead Halide Perovskites

MR Linaburg, ET McClure, JD Majher… - Chemistry of …, 2017 - ACS Publications
The structures of the lead halide perovskites CsPbCl3 and CsPbBr3 have been determined
from X-ray powder diffraction data to be orthorhombic with Pnma space group symmetry …

On understanding bandgap bowing and optoelectronic quality in Pb–Sn alloy hybrid perovskites

A Rajagopal, RJ Stoddard, HW Hillhouse… - Journal of Materials …, 2019 - pubs.rsc.org
High quality small-bandgap hybrid perovskites (AMX3 with M= Pb1− xSnx) are pivotal for all-
perovskite multi-junction photovoltaics. The bandgap of these alloys significantly deviates …

Investigation into cation-ordered magnetic polar double perovskite oxides

M Shaikh, A Fathima, MJ Swamynadhan… - Chemistry of …, 2021 - ACS Publications
The technique of coupling cation ordering with other microscopic degrees of freedom was
employed to induce magnetic polar phenomena within the materials belonging to the double …

On the Emergence of Ferromagnetism in LaCoO3 Ultrathin Films

Y Li, H Zhou, Y Liu, IC Tung, X Yan… - Advanced Functional …, 2024 - Wiley Online Library
It is well known that the properties of a crystal evolve as it increases in size from a single
atomic plane to that of the bulk. Such size‐dependent transitions can stem from many …

Insights into cation ordering of double perovskite oxides from machine learning and causal relations

A Ghosh, G Palanichamy, DP Trujillo… - Chemistry of …, 2022 - ACS Publications
This work investigates origins of cation ordering in double perovskites using first-principles
theory computations combined with machine learning (ML) and causal relations. We have …

: A Dirac-Mott insulator with ferromagnetism near 100 K

HL Feng, S Calder, MP Ghimire, YH Yuan, Y Shirako… - Physical Review B, 2016 - APS
The ferromagnetic semiconductor B a 2 NiOs O 6 (T mag∼ 100 K) was synthesized at 6 GPa
and 1500° C. It crystallizes into a double perovskite structure [F m-3 m; a= 8.0428 (1) Å] …

Predictive Design of Hybrid Improper Ferroelectric Double Perovskite Oxides

P Gayathri, S Ghosh, A Ghosh - Chemistry of Materials, 2023 - ACS Publications
The computational design of suitable multiferroic double perovskite oxides requires finding
materials that exhibit sizable polarization, magnetization, and coupling between them …

Magnetism in Ca2CoOsO6 and Ca2NiOsO6: Unraveling the Mystery of Superexchange Interactions between 3d and 5d Ions

R Morrow, K Samanta, T Saha Dasgupta… - Chemistry of …, 2016 - ACS Publications
In order to rationalize and predict the behavior of compounds containing 5d transition metal
ions, an understanding of the local moments and superexchange interactions from which …