Comparative density functional studies of pristine and doped bismuth ferrite polymorphs by GGA+ U and meta-GGA SCAN+ U
J Kaczkowski, M Pugaczowa-Michalska… - Physical Chemistry …, 2021 - pubs.rsc.org
We analyzed the effect of nonmagnetic dopants Al, Ga, Sc, and In at the Fe-site on the phase
stability, structural, and electronic properties of different bismuth ferrite (BiFeO3) polymorphs …
stability, structural, and electronic properties of different bismuth ferrite (BiFeO3) polymorphs …
High-Pressure Route to Irreversible Thermochromic Materials
M Oshita, H Murata, H Yamamoto… - The Journal of …, 2024 - ACS Publications
Irreversible thermochromic materials change color when heated but do not return to their
original color when cooled. This property enables the permanent storage of temperature …
original color when cooled. This property enables the permanent storage of temperature …
Magnetic Diagram of the High-Pressure Stabilized Multiferroic Perovskites of the BiFe1-yScyO3 Series
Magnetic properties of the high-pressure stabilized perovskite BiFe1-y Sc y O3 phases
(0.1≤ y≤ 0.9) have been studied by means of magnetization measurements and neutron …
(0.1≤ y≤ 0.9) have been studied by means of magnetization measurements and neutron …
Magnetically induced metal-insulator transition in
We report on the structural, magnetic, and electronic properties of two new double-
perovskites synthesized under high pressure, Pb 2 CaOsO 6 and Pb 2 ZnOsO 6. Upon …
perovskites synthesized under high pressure, Pb 2 CaOsO 6 and Pb 2 ZnOsO 6. Upon …
Magnetic Behaviour of Perovskite Compositions Derived from BiFeO3
The phase content and sequence, the crystal structure, and the magnetic properties of
perovskite solid solutions of the (1− y) BiFeO3–y BiZn0. 5Ti0. 5O3 series (0.05≤ y≤ 0.90) …
perovskite solid solutions of the (1− y) BiFeO3–y BiZn0. 5Ti0. 5O3 series (0.05≤ y≤ 0.90) …
Superstructure reflections in 40% Sn(II)-substituted BaZr0.5Ti0.5O3 perovskite modeled with a Bayesian method for crystallographic refinement
R Broughton, S O'Donnell, E Gabilondo… - Journal of Materials …, 2024 - Springer
Tin (II) perovskite oxides are promising for lead-free ferroelectric applications because Sn (II)
is isoelectronic to Pb (II) and is predicted to amplify displacements and polarization. Though …
is isoelectronic to Pb (II) and is predicted to amplify displacements and polarization. Though …
Synthesis of two polymorphic Cu-based coordination polymers of 1, 2, 4-benzenetricarboxylic acid along with a carbon-coated composite for the selective degradation …
Y Liu, AA Yang, Y Wang, WZ Li, XS Zhang… - Journal of Solid State …, 2021 - Elsevier
Two polymorphic Cu-based coordination polymers (CPs) based on the ligand 1, 2, 4-
benzenetricarboxylic acid (H 3 BTC) have been prepared via solvothermal synthesis. Each …
benzenetricarboxylic acid (H 3 BTC) have been prepared via solvothermal synthesis. Each …
The orthorhombic-tetragonal morphotropic phase boundary in high-pressure synthesized BiMg0. 5Ti0. 5O3–BiZn0. 5Ti0. 5O3 perovskite solid solutions
x) BiMg 0.5 Ti 0.5 O 3− xBiZn 0.5 Ti 0.5 O 3 [(1− x) BMT–xBZT] ceramics of perovskite solid
solutions, in which BMT and BZT are lead-free structural analogs of PbZrO 3 and PbTiO 3 …
solutions, in which BMT and BZT are lead-free structural analogs of PbZrO 3 and PbTiO 3 …
Phase Transitions in the Metastable Perovskite Multiferroics BiCrO3 and BiCr0.9Sc0.1O3: A Comparative Study
The temperature behavior of the crystal structure as well as dielectric and magnetic
properties of the perovskite bismuth chromate ceramics with the 10 mol% Cr3+-to-Sc3+ …
properties of the perovskite bismuth chromate ceramics with the 10 mol% Cr3+-to-Sc3+ …
Comparative density functional studies of BiMO 3 polymorphs (M= Al, Ga, In) based on LDA, GGA, and meta-GGA functionals
I Płowaś-Korus, J Kaczkowski - New Journal of Chemistry, 2022 - pubs.rsc.org
We report the relative stabilities, structural properties and ferroelectric properties of different
polymorphs of BiMO3 (M= Al, Ga, In) in the framework of density functional theory (DFT). We …
polymorphs of BiMO3 (M= Al, Ga, In) in the framework of density functional theory (DFT). We …