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Effect of Hubbard U-corrections on the electronic and magnetic properties of 2D materials: a high-throughput study.
NPJ Comput Mater
January 2025
Computational Atomic-scale Materials Design (CAMD), Department of Physics, Technical University of Denmark, Kgs. Lyngby, Denmark.
We conduct a systematic investigation of the role of Hubbard U corrections in electronic structure calculations of two-dimensional (2D) materials containing 3 transition metals. Specifically, we use density functional theory (DFT) with the PBE and PBE+U approximations to calculate the crystal structure, band gaps, and magnetic parameters of 638 monolayers. Based on a comprehensive comparison to experiments we first establish that the inclusion of the U correction worsens the accuracy for the lattice constants.
View Article and Find Full Text PDFState switch control of magnetically suspended flywheel energy storage system in uninterrupted power supply system.
Sci Rep
January 2025
School of Technology, Beijing Forestry University, Beijing, 100083, China.
The magnetically suspended flywheel energy storage system (MS-FESS) is an energy storage equipment that accomplishes the bidirectional transfer between electric energy and kinetic energy, and it is widely used as the power conversion unit in the uninterrupted power supply (UPS) system. First, the structure of the FESS-UPS system is introduced, and the working principles at different working states are described. Furthermore, the control strategy of the FESS-UPS is developed, and the switch oscillation of the FESS-UPS system between the charging and discharging states is analyzed.
View Article and Find Full Text PDFStrong turbulent flow in the subauroral region in the Antarctic can deteriorate satellite-based navigation signals.
Sci Rep
January 2025
Department of Physics, University of Oslo, P.O. Box 1048 Blindern, 0316, Oslo, Norway.
In the subauroral zone at the boundary of the auroral oval in the evening and night hours during geomagnetic disturbances, a narrow (about 1°-2°) and extended structure (several hours in longitude) is formed. It is known as a polarization jet (PJ) or the subauroral ion drift (SAID). The PJ/SAID is a fast westward ion drift and is one of the main signatures of a geomagnetic disturbance in the subauroral ionosphere at the altitudes of the F-layer, when the geomagnetic AE index reaches more than 500 nT.
View Article and Find Full Text PDFMagnetization of immobilized multi-core particles with varying internal structures.
Phys Chem Chem Phys
January 2025
Ural Federal University, Ekaterinburg, Russia.
This work is devoted to the study of the static magnetization of immobilized multi-core particles (MCPs) and their ensembles. These objects model aggregates of superparamagnetic nanoparticles that are taken up by biological cells and subsequently used, for example, as magnetoactive agents for cell imaging. In this study, we derive an analytical formula that allows us to predict the static magnetization of MCPs consisting of immobilized granules, in which the magnetic moment rotates freely the Néel mechanism.
View Article and Find Full Text PDFOctupolar Vortex Crystal and Toroidal Moment in Twisted Bilayer MnPSe.
Nano Lett
January 2025
Department of Physics, Arizona State University, Tempe, Arizona 85287, United States.
Experimental detection of antiferromagnetic order in two-dimensional materials is a challenging task. Identifying multidomain antiferromagnetic textures via the current techniques is even more difficult. Therefore, we investigate the higher-order multipole moments in twisted bilayer MnPSe.
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