Designing of magnetic MAB phases for energy applications

C Shen, Q Gao, NM Fortunato, HK Singh… - Journal of Materials …, 2021 - pubs.rsc.org
Based on high-throughput density functional theory calculations, we performed screening for
stable magnetic MAB compounds and predicted potential strong magnets for permanent …

Chemical order or disorder–a theoretical stability expose for expanding the compositional space of quaternary metal borides

M Dahlqvist, J Rosen - Materials Advances, 2022 - pubs.rsc.org
Inspired by the recent discovery of Ti4MoSiB2, a quaternary phase with out-of-plane
chemical order that we denote as o-MAB, we perform an extensive first-principles study to …

Nanolaminated and materials and the assessment of their electronic correlations

EMD Siriwardane, T Birol, O Erten, D Çakır - Physical Review Materials, 2022 - APS
Ternary transition metal carbides and nitrides in the so-called MAX phases constitute a rich
family of compounds that host interesting electronic and magnetic properties, and thus …

Synthesis, characterization, properties, first principles calculations, and X-ray photoelectron spectroscopy of bulk Mn5SiB2 and Fe5SiB2 ternary borides

TA ElMeligy, S Kota, V Natu, H Lind, J Palisaitis… - Journal of Alloys and …, 2021 - Elsevier
Herein, we synthesize fully dense, bulk, predominantly single-phase, polycrystalline
samples of the layered ternary transition metal borides Mn 5 SiB 2 and Fe 5 SiB 2 by …

Magnetocrystalline anisotropy of and its alloys with Co and elements: A combined first-principles and experimental study

M Werwiński, A Edström, J Rusz, D Hedlund… - Physical Review B, 2018 - APS
The Fe 5 PB 2 compound offers tunable magnetic properties via the possibility of various
combinations of substitutions on the Fe and P sites. Here, we present a combined …

[HTML][HTML] Magnetocaloric properties of Mn5 (Si, P) B2 compounds for energy harvesting applications

H Ojiyed, M van den Berg, I Batashev, Q Shen… - Journal of Alloys and …, 2024 - Elsevier
The magnetocaloric properties of Mn 5 Si 1-x P x B 2 (0≤ x≤ 1) compounds were studied
for energy harvesting applications. The crystal structure and the magnetic structure were …

Room temperature magnetic anisotropy in Fe2P-type transition metal based alloys

F Guillou, O Haschuluu, ZQ Ou, E Brück… - Journal of Alloys and …, 2019 - Elsevier
We explore the crystal structure and magnetic properties of quaternary materials deriving
from the hexagonal Fe 2 P, an iron binary known to present a particularly large …

Curie temperature study of and systems using mean field theory and Monte Carlo method

B Wasilewski, W Marciniak… - Journal of Physics D …, 2018 - iopscience.iop.org
Cubic Laves phases including,,, and are considered as promising candidates for application
in hydrogen storage and magnetic refrigeration. While and are ferromagnets, alloying with …

Influence of Cobalt Substitution on the Magnetic Properties of Fe5PB2

J Cedervall, E Nonnet, D Hedlund… - Inorganic …, 2018 - ACS Publications
The substitutional effects of cobalt in (Fe1–x Co x) 5PB2 have been studied with respect to
crystalline structure and chemical order with X-ray diffraction and Mössbauer …

Searching for magnetically hard monoborides (and finding a few): A first-principles investigation

J Snarski-Adamski, M Werwiński - arXiv preprint arXiv:2403.00138, 2024 - arxiv.org
New hard magnetic materials with zero or low rare earth content are in demand due to the
high prices of the rare earth metals. Among the candidates for such materials, we consider …