Computational discovery of diverse functionalities in two-dimensional square disulfide monolayers: auxetic behavior, high curie temperature ferromagnets …

Y Liu, W Li, F Li, Z Chen - Journal of Materials Chemistry A, 2023 - pubs.rsc.org
By means of systematic density functional theory (DFT) computations, we identified 12 stable
two-dimensional (2D) disulfide monolayers featuring a square lattice from a pool of 68 …

Ab initio study of the effective Coulomb interactions and Stoner ferromagnetism in M 2 C and M 2 CO 2 MX-enes (M= Sc, Ti, V, Cr, Fe, Zr, Nb, Mo, Hf, Ta)

H Hadipour, Y Yekta - Physical Review B, 2019 - APS
The MX-enes are favorable two-dimensional materials for a wide variety of applications such
as electronic and spintronic devices. The quantum confinement effects arising from reduced …

A new 2D Janus family with multiple properties: auxetic behavior, straintunable photocatalyst, high Curie temperature ferromagnets, and piezoelectric quantum …

Y Liu, SY Wang, F Li - Science China Materials, 2024 - Springer
Discovering new two-dimensional (2D) materials, exploring their unique properties and
potentials in various applications are of paramount importance to condensed matter physics …

Probing ferrimagnetic semiconductor with enhanced negative magnetoresistance: 2D chromium sulfide

MG Moinuddin, S Srinivasan… - Advanced Electronic …, 2021 - Wiley Online Library
Magnetic 2D materials have emerged as a great interest in spintronics due to atomic
thickness scaling, low energy switching, and ease in the manipulation of spins. This report …

Magnetocaloric effect and critical exponents at near room temperature of CrTe

M Arejdal - Solid State Communications, 2024 - Elsevier
In this work, I investigated and studied the CrTe compound, which has a spin amplitude of
about 2, to determine its critical behaviors at near room temperature, magnetocaloric …

Structural, magnetic, and optoelectronic properties of new ferromagnetic semiconductors Cd0.75Os0.25S and Cd0.75Ir0.25S: Insight from DFT computations

M Boudjelal, M Batouche, T Seddik, T Antri… - Optical and Quantum …, 2022 - Springer
This paper investigates in detail the structural, magnetic, and optoelectronic properties of
Cd0. 75TM0. 25S (TM= Os and Ir) alloys having a zinc-blende structure of the ferromagnetic …

A new family of NaTMGe (TM= 3d transition metals) half-Heusler compounds: the role of TM modification

TV Vu, DK Nguyen, J Guerrero-Sanchez… - RSC …, 2022 - pubs.rsc.org
Exploring Heusler based materials for different practical applications has drawn more and
more attention. In this work, the structural, electronic, magnetic, and mechanical properties of …

d0 Half-Metallic Ferromagnetism in GeNaZ (Z = Ca, Sr, and Ba) Ternary Half-Heusler Alloys: an Ab initio Investigation

L Beldi, Y Zaoui, KO Obodo, H Bendaoud… - … of Superconductivity and …, 2020 - Springer
First-principles approach based on density functional theory was applied to investigate the
structural, elastic, phonon dynamics, thermodynamics, electronic, and magnetic properties of …

Pressure-induced reversible and irreversible multistate switching in NiAs-type chromium selenides

C Li, K Liu, D Jiang, T Wen, E Chen, Y Ma… - Chemistry of …, 2023 - ACS Publications
Materials capable of switching in multiple states under external stimuli have garnered
extensive attention in the field of memory devices and switches. The coupling of various …

Unusual magnetic interaction in CrTe: Insights from machine-learning and empirical models

F Zhang, J Zhang, D Fang, Y Zhang… - Journal of Physics …, 2023 - iopscience.iop.org
Chromium telluride (CrTe) has received much attention due to its small magnetic anisotropy,
which hosts the potential for complex magnetic structures. However, its magnetic properties …