Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations

S Körbel, MAL Marques, S Botti - Journal of Materials Chemistry C, 2016 - pubs.rsc.org
Using a high-throughput approach based on density functional theory, we perform an
extensive study of possible ABX3 perovskites, where X is a non-metal and A and B span a …

Fluoride-coordination chemistry in molecular and low-dimensional magnetism

KS Pedersen, MA Sørensen, J Bendix - Coordination Chemistry Reviews, 2015 - Elsevier
We review the past and current efforts towards interesting molecular, magnetic systems
encompassing inter-metallic fluoride bridging. The efficacy of fluoride as mediator of …

Chemistry of silver (II): a cornucopia of peculiarities

W Grochala, Z Mazej - Philosophical Transactions of the …, 2015 - royalsocietypublishing.org
Silver is the heavier congener of copper in the Periodic Table, but the chemistry of these two
elements is very different. While Cu (II) is the most common cationic form of copper, Ag (II) is …

Silver route to cuprate analogs

J Gawraczyński, D Kurzydłowski… - Proceedings of the …, 2019 - National Acad Sciences
The parent compound of high-T c superconducting cuprates is a unique Mott insulator
consisting of layers of spin-1 2 ions forming a square lattice and with a record high in-plane …

Charge-Transfer and excitations in

N Bachar, K Koteras, J Gawraczynski, W Trzciński… - Physical Review …, 2022 - APS
Charge-transfer insulators are the parent phase of a large group of today's unconventional
high-temperature superconductors. Here we study experimentally and theoretically the …

Review on developments and progress in nickelate‐based heterostructure composites and superconducting thin films

X Yang, M Li, Z Ding, L Li, C Ji… - Advanced Quantum …, 2023 - Wiley Online Library
In the past decade, the rapid development of modern heterointerface growth and
characterization techniques has stimulated great effort to research and design the …

Mechanochemical Synthesis and Magnetic Properties of the Mixed-Valent Binary Silver(I,II) Fluorides, AgI2AgIIF4 and AgIAgIIF3

M Belak Vivod, Z Jagličić, G King… - Journal of the …, 2024 - ACS Publications
Fluoridoargentates (II) represent a fascinating class of silver (II) compounds with structural
and magnetic similarities to cuprate superconductors. However, their synthesis is …

Silverland: The realm of compounds of divalent silver—and why they are interesting

W Grochala - Journal of Superconductivity and Novel Magnetism, 2018 - Springer
In this personal account, the author takes readers on the journey to “Silverland,” ie, the
emerging field of electronic and magnetic materials based on divalent silver (Ag 2+). He …

Prediction of extremely strong antiferromagnetic superexchange in silver (II) fluorides: Challenging the oxocuprates (II)

D Kurzydłowski, W Grochala - Angewandte Chemie, 2017 - Wiley Online Library
Strong magnetic coupling between the spins of unpaired electrons is an essential ingredient
of many fascinating physical phenomena. Here we report calculations using the hybrid …

Low-temperature magnetism of

JM Wilkinson, SJ Blundell, S Biesenkamp, M Braden… - Physical Review B, 2023 - APS
KAgF 3 is a quasi-one-dimensional quantum antiferromagnet hosting a series of intriguing
structural and magnetic transitions. Here we use powder neutron diffraction, μ SR …