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Quantum materials with strong spin–orbit coupling: challenges and opportunities for materials chemists
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 …
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
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) …
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 …
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
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 …
perovskite multi-junction photovoltaics. The bandgap of these alloys significantly deviates …
Investigation into cation-ordered magnetic polar double perovskite oxides
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 …
employed to induce magnetic polar phenomena within the materials belonging to the double …
On the Emergence of Ferromagnetism in LaCoO3 Ultrathin Films
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 …
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
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 …
theory computations combined with machine learning (ML) and causal relations. We have …
: A Dirac-Mott insulator with ferromagnetism near 100 K
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] …
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
The computational design of suitable multiferroic double perovskite oxides requires finding
materials that exhibit sizable polarization, magnetization, and coupling between them …
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
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 …
ions, an understanding of the local moments and superexchange interactions from which …