Chemical design of a new displacive-type ferroelectric

M Itoh, Y Hamasaki, H Takashima, R Yokoi… - Dalton …, 2022 - pubs.rsc.org
Since the discovery of the ferroelectric perovskite-type oxide BaTiO3 in 1943, numerous
materials have been surveyed as candidates for new ferroelectrics. Perovskite-type …

Limited Ferromagnetic Interactions in Monolayers of MPS3 (M = Mn and Ni)

C Autieri, G Cuono, C Noce, M Rybak… - The Journal of …, 2022 - ACS Publications
We present a systematic study of the electronic and magnetic properties of two-dimensional
ordered alloys, consisting of two representative hosts (MnPS3 and NiPS3) of transition metal …

Engineering axion insulator and other topological phases in superlattices without inversion symmetry

R Islam, S Mardanya, A Lau, G Cuono, TR Chang… - Physical Review B, 2023 - APS
We study theoretically the interplay between magnetism and topology in three-dimensional
HgTe/MnTe superlattices stacked along the (001) axis. Our results show the evolution of the …

A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)

R Shankar PN, F Orlandi, P Manuel, W Zhang… - Chemistry of …, 2020 - ACS Publications
Octahedral distortion in ABO3 perovskite materials is ubiquitous because of the ionic size
mismatch between A and B cations, leading to various kinds of crystal symmetry. However …

Momentum-resolved spin splitting in Mn-doped trivial CdTe and topological HgTe semiconductors

C Autieri, C Śliwa, R Islam, G Cuono, T Dietl - Physical Review B, 2021 - APS
Exchange coupling between localized spins and band or topological states accounts for
giant magnetotransport and magneto-optical effects as well as determines spin-spin …

[HTML][HTML] Orbital order and ferromagnetism in LaMn1− xGaxO3

C Autieri, M Cuoco, G Cuono, S Picozzi… - Physica B: Condensed …, 2023 - Elsevier
We study from first principles the magnetic, electronic, orbital and structural properties of the
LaMnO 3 doped with gallium replacing the Mn-site. The gallium doping reduces the Jahn …

Dzyaloshinskii-Moriya interaction inducing weak ferromagnetism in centrosymmetric altermagnets and weak ferrimagnetism in noncentrosymmetric altermagnets

C Autieri, RM Sattigeri, G Cuono… - arXiv preprint arXiv …, 2023 - arxiv.org
The Dzyaloshinskii-Moriya interaction (DMI) has explained successfully the weak
ferromagnetism in some centrosymmetric antiferromagnets. However, in the last years, it …

First-Principles Study on Possible Half-Metallic Ferrimagnetism in Double Perovskites Pb2XX′O6 (X = Ti, Zr, Hf, V, Nb and Ta, X′ = Tc, Ru, Os and Rh)

BY Chen, PH Lee, YK Wang - Materials, 2022 - mdpi.com
Pb-based double perovskite compounds with chemical formula Phey have abundant
physical properties in the spintronic field. Among all the features, the spin interaction of half …

The critical role of stereochemically active lone pair in introducing high temperature ferroelectricity

R Ali Saha, A Halder, D Fu, M Itoh… - Inorganic …, 2021 - ACS Publications
In this paper, a comparative structural, dielectric, and magnetic study of two langasite
compounds Ba3TeCo3P2O14 (absence of lone pair) and Pb3TeCo3P2O14 (Pb2+ 6s2 lone …

Double double to double perovskite transformations in quaternary manganese oxides

K Ji, KN Alharbi, E Solana‐Madruga… - Angewandte Chemie …, 2021 - Wiley Online Library
Control of cation ordering in ABX3 perovskites is important to structural, physical and
chemical properties. Here we show that thermal transformations of AA′ BB′ O6 double …