相关论文: Large magneto-optical effect and magnetic anisotro…
By performing systematic $ab$ $initio$ density functional calculations, here we study two relativity-induced properties of atomically thin ferromagnetic (FM) Cr$_2$Ge$_2$Te$_6$ films [monolayer (ML), bilayer (BL) and trilayer (TL) as well…
The latest discovery of ferromagnetism in atomically thin films of semiconductors Cr$_2$Ge$_2$Te$_6$ and CrI$_3$ has unleashed numerous opportunities for fundamental physics of magnetism in two-dimensional (2D) limit and also for…
In the quest for two-dimensional conducting materials with high ferromagnetic ordering temperature the new family of the layered Fe$_{n}$GeTe$_{2}$ compounds, especially the near-room-temperature ferromagnet Fe$_{4}$GeTe$_{2}$, receives a…
The capacity to externally manipulate magnetic properties is highly desired from both fundamental and technological perspectives, particularly in the development of magnetoelectronics and spintronics devices. Here, using first-principles…
Two-dimensional (2D) ferromagnets have been a fascinating subject of research, and magnetic anisotropy (MA) is indispensable for stabilizing the 2D magnetic order. Here, we investigate magnetic anisotropy energy (MAE), magnetic and…
Designing systems with large magnetic anisotropy energy (MAE) is desirable and critical for nanoscale magnetic devices. A recent breakthrough achieved the theoretical limit of the MAE for 3$d$ transition metal atoms by placing a single Co…
Utilizing the first-principles density functional theory calculations together with group theory analyses, we systematically investigate the spin order-dependent magneto-optical effect (MOE), anomalous Hall effect (AHE), and anomalous…
Recent advances in two-dimensional materials have greatly expanded the family of ferromagnetic materials. The well-known 2D ferromagnets, such as CrI$_3$, Cr$_2$Ge$_2$Te$_6$, and Fe$_3$GeTe$_2$ monolayers, are characterized by…
We present a first-principles study of the large magneto-crystalline anisotropy in the intercalated di-chalcogenide material \ce{Fe_{0.25}TaS_2}, investigated with the DFT+U approach. We verify a uniaxial magnetocrystalline anisotropy…
The magnetic properties of Fe$_2$Ta and Fe$_2$W in the hexagonal Laves phase are computed using density functional theory in the generalised gradient approximation, with the full potential linearised augmented plane wave method. The alloy…
Atomic-scale magnetic nanostructures are promising candidates for future information processing devices. Utilizing external electric field to manipulate their magnetic properties is an especially thrilling project. Here, by careful…
First-principles calculations are used to gauge different levels of approximation to calculate the magnetocrystalline anisotropy energies (MAE) of five $L1_0$ FeMe alloys (Me=Co, Cu, Pd, Pt, Au). We find that a second-order perturbation…
Two-dimensional ferromagnets with strong perpendicular magnetic anisotropy exhibit magnetic order down to the monolayer thickness, beneficial for energy-efficient spintronic devices. In this work, molecular beam epitaxy has been employed to…
Two-dimensional (2D) ferromagnetic materials with high Curie temperature ($T_{\rm c}$) and large magnetic anisotropy energy (MAE) are critical for nanoscale spintronics but remain rare. We propose, via first-principles calculations, that…
Utilizing the first-principles calculations together with the group theory analysis, we systematically investigate the magnetocrystalline anisotropy energy, magneto-optical effect, and anomalous transport properties (including anomalous…
We study the magneto-optical Kerr effect (MOKE) of the two-dimensional heterostructure CrI3/In2Se3/CrI3 by using density functional theory calculations and symmetry analysis. The spontaneous polarization in the In2Se3 ferroelectric layer…
We present a comprehensive study on anisotropic magnetocaloric porperties of the van der Waals weak-itinerant ferromagnet Fe$_{3-x}$GeTe$_2$ that features gate-tunable room-temperature ferromagnetism in few-layer device. Intrinsic…
The influence of the mechanical strain and chemical substitution on the magnetic anisotropy energy (MAE) of Cr$_2$O$_3$ is studied using first-principles calculations. Dzyaloshinskii-Moriya interaction contributes substantially to MAE by…
We present an investigation on the large magnetic anisotropy of Fe_{2}P, based on {\it Ab Initio} density-functional theory calculations, with a full potential linear muffin-tin orbital (FP-LMTO) basis. We obtain an uniaxial magnetic…
The two-dimensional (2D) Cu(CrSe$_2$)$_2$ monolayer stands out for its combined ferromagnetic (FM), ferroelectric (FE), and metallic properties, marking itself as a prominent 2D multiferroic metal. This work studies those properties and the…