Quantitative theory of magnetic interactions in solids
This review addresses the method of explicit calculations of interatomic exchange
interactions of magnetic materials. This involves exchange mechanisms normally referred to …
interactions of magnetic materials. This involves exchange mechanisms normally referred to …
Exchange interactions and sensitivity of the Ni two-hole spin state to Hund's coupling in doped
Using the density-functional-based LDA+ U method and linear-response theory, we study
the magnetic exchange interactions of the superconductor Nd 1− x Sr x Ni O 2. Our …
the magnetic exchange interactions of the superconductor Nd 1− x Sr x Ni O 2. Our …
Magnetic interactions and possible structural distortion in kagome FeGe from first-principles calculations and symmetry analysis
Recently, charge density wave (CDW) order has been discovered in a magnetic kagome
metal FeGe, providing a platform to explore the possible connection between magnetism …
metal FeGe, providing a platform to explore the possible connection between magnetism …
Calculated magnetic exchange interactions in the van der Waals layered magnet CrSBr
Intrinsic van der Waals materials layered magnets have attracted much attention, especially
the air-stable semiconductor CrSBr. Herein, we carry out a comprehensive investigation of …
the air-stable semiconductor CrSBr. Herein, we carry out a comprehensive investigation of …
High-throughput computation and structure prototype analysis for two-dimensional ferromagnetic materials
We perform high-throughput first-principles computations to search the high Curie
temperature (TC) two-dimensional ferromagnetic (2DFM) materials. We identify 79 2DFM …
temperature (TC) two-dimensional ferromagnetic (2DFM) materials. We identify 79 2DFM …
Rare-earth pnictides and chalcogenides from first-principles
This review tries to establish what is the current understanding of the rare-earth
monopnictides and monochalcogenides from first principles. The rock salt structure is …
monopnictides and monochalcogenides from first principles. The rock salt structure is …
Magnetic ground state and electron-doping tuning of Curie temperature in : First-principles studies
Intrinsic magnetic van der Waals (vdW) materials have attracted much attention, especially
Fe 3 GeTe 2 (FGT), which exhibits highly tunable properties. However, despite vast efforts …
Fe 3 GeTe 2 (FGT), which exhibits highly tunable properties. However, despite vast efforts …
Electronic structure and physical properties of EuAuAs single crystal
High-quality single crystals of EuAuAs were studied by means of powder x-ray diffraction,
magnetization, magnetic susceptibility, heat capacity, electrical resistivity and …
magnetization, magnetic susceptibility, heat capacity, electrical resistivity and …
Magnetic structure and exchange interactions of the van der Waals monolayer under strain: A first-principles study
Intrinsic van der Waals layered magnets have attracted much attention. Herein, we carry out
a comprehensive investigation of the air-stable two-dimensional van der Waals …
a comprehensive investigation of the air-stable two-dimensional van der Waals …
Two-dimensional Cr 2 GaX 4 (X= S, Se, Te) monolayers: half-metallic intrinsic room temperature ferromagnets with large magnetic anisotropy
S Ma, X Bo, X Liu, S Wang, M Lan, S Li, F Li… - Journal of Materials …, 2024 - pubs.rsc.org
Developing two-dimensional (2D) materials with robust ferromagnetism is highly desirable
for spintronic applications. In this work, we have designed a series of intrinsic ferromagnetic …
for spintronic applications. In this work, we have designed a series of intrinsic ferromagnetic …