High-throughput design of magnetic materials
H Zhang - Electronic Structure, 2021 - iopscience.iop.org
Materials design based on density functional theory (DFT) calculations is an emergent field
of great potential to accelerate the development and employment of novel materials …
of great potential to accelerate the development and employment of novel materials …
Excellent room temperature catalytic activity for formaldehyde oxidation on a single-atom iron catalyst in a moist atmosphere
Z Liu, J Wei, G Zhang, D Zhang, J Zhang… - Journal of Materials …, 2023 - pubs.rsc.org
For human safety, efficient removal of formaldehyde in indoor environments is essential.
However, removing formaldehyde from indoor environments given the low-temperature and …
However, removing formaldehyde from indoor environments given the low-temperature and …
Electronic and magnetic properties of transition-metal-doped monolayer B 2 S 2 within GGA+ U framework
W Chen, Q Chen, J Zhang, L Zhou, W Tang, Z Wang… - RSC …, 2024 - pubs.rsc.org
Considering the significant role of magnetism induction in two-dimensional (2D)
semiconductor materials, we systematically investigate the effects of various dopants from …
semiconductor materials, we systematically investigate the effects of various dopants from …
Density Functional Theory Prediction of Room-Temperature Two-Dimensional Ferromagnetic Materials for Applications as Spintronic Devices
Y Liu, S Wang, Y Wang, Z Wang, X Rui… - ACS Applied Nano …, 2024 - ACS Publications
Currently, two-dimensional (2D) ferromagnetic (FM) materials have become one type of
promising spintronic devices. However, the practical applications of 2D FM materials are …
promising spintronic devices. However, the practical applications of 2D FM materials are …
Intrinsic ferromagnetism with high Curie temperature in two dimensional XCrY 3 (X= Al, Ga, In; Y= S, Se, Te) monolayers
W Chen, P Zhu, H Liu, Z Zhu, Q Zheng… - Journal of Materials …, 2024 - pubs.rsc.org
Two-dimensional (2D) intrinsic ferromagnetic (FM) semiconductors with high Curie
temperature are promising candidates for applications in spintronics. Here, we predict a new …
temperature are promising candidates for applications in spintronics. Here, we predict a new …
Tuning magnetic properties of single-layer MnTe2 via strain engineering
W Chen, J Zhang, Y Nie, Q **a, G Guo - … of Physics and Chemistry of Solids, 2020 - Elsevier
We systematically study the strain-tuning effect on the electronic and magnetic properties of
single-layer MnTe 2 using first-principles calculations. The calculations show that the …
single-layer MnTe 2 using first-principles calculations. The calculations show that the …
Ferroelectric polarizations engineered reversible skyrmion–bimeron switch in van der Waals heterostructure RuClBr/Ga2S3
Y Lei, W Sun, X Niu, W Zhou, X Yu, Y Liu… - Applied Physics …, 2025 - pubs.aip.org
Controllable operation between different magnetic topological states, such as skyrmions and
bimerons, which share the same topological charge but exhibit distinct properties, has …
bimerons, which share the same topological charge but exhibit distinct properties, has …
Efficient calculation of magnetocrystalline anisotropy energy using symmetry-adapted Wannier functions
H Saito, T Koretsune - arxiv preprint arxiv:2402.16331, 2024 - arxiv.org
Magnetocrystalline anisotropy, a crucial factor in magnetic properties and applications like
magnetoresistive random-access memory, often requires extensive $ k $-point mesh in first …
magnetoresistive random-access memory, often requires extensive $ k $-point mesh in first …