相关论文: Tunable Electronic Structure and Magnetic Coupling…
The effect of strain on the magnetic order and band structure of single-layer CrAsS$_4$ has been investigated by first-principles calculations based on density functional theory. We found that single-layer CrAsS$_4$ was an antiferromagnetic…
Based on density functional theory (DFT), we performed first-principle studies on the electronic structure, magnetic state and optical properties of two-dimensional (2D) transition-metal phosphorous trichalcogenide MnPX$_3$ (X=S and Se).…
The engineering of magnetic order and electronic states in two-dimensional (2D) materials is pivotal for advanced spintronic technologies. Despite their potential, the scarcity of intrinsic 2D ferromagnets remains a critical challenge.…
Density functional theory calculations are carried out to study the electronic and topological properties of $M$P$X_3$ ($M$ = Mn, Fe, Co, Ni, and $X$ = S, Se) monolayers in the ferromagnetic (FM) metastable magnetic state. We find that FM…
The family of monolayer two-dimensional (2D) materials hosts a wide range of interesting phenomena, including superconductivity, charge density waves, topological states and ferromagnetism, but direct evidence for antiferromagnetism in the…
Two-dimensional van der Waals magnetic materials are of great current interest for their promising applications in spintronics. In this work, using density functional theory calculations in combination with the maximally localized Wannier…
Controlling magnetism and electronic properties of two-dimensional (2D) materials by purely electrical means is crucial and highly sought for high-efficiency spintronics devices since electric field can be easily applied locally compared…
The magnetic structures of MnBi2Te4(Bi2Te3)n can be manipulated by tuning the interlayer coupling via the number of Bi2Te3 spacer layers n, while the intralayer ferromagnetic (FM) exchange coupling is considered too robust to control. By…
The investigations of the interconnection between micro- and macroscopic properties of materials hosting noncollinear antiferromagnetic ground states are challenging. These forefront studies are crucial for unraveling the underlying…
Layered transition metal trichalcogenides with the chemical formula $ABX_3$ have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we…
Recently, two monolayer magnetic materials, i.e., FePS3 and NiPS3, have been successfully fabricated. Despite that they have the same atomic structure, the two monolayers exhibit distinct magnetic properties. FePS3 holds an out-of-plane…
First-principles calculations are performed to study the electronic structures and topological phases of magnetic layered materials MnBi2Te4, MnBi2Se4 and MnSb2Te4 under different film thicknesses, strains and spin-orbit coupling (SOC)…
The exploration of two-dimensional (2D) antiferromagnetic (AFM) materials has shown great promise and interest in tuning the magnetic and electronic properties as well as studying magneto-optical effects. The current work investigates the…
The electronic structural properties in the presence of constrained magnetization and a charged background are studied for a monolayer of FeSe in non-magnetic, checkerboard-, and striped-antiferromagnetic (AFM) spin configurations. First…
Two-dimensional CrI3 has attracted much attention as it is reported to be a ferromagnetic semiconductor with the Curie temperature around 45K. By performing first-principles calculations, we find that the magnetic ground state of CrI3 is…
Integrating two-dimensional van der Waals magnets into field-effect spintronic devices requires robust charge stability and tunable spin responses. In this study, we investigate the electronic, topological, magnonic, and magneto-optical…
We study the physical properties of MnAs under strain by using accurate first-principles pseudopotential calculations. Our results provide new insight on the physics of strained multilayer that are grown epitaxially on different lattice…
Two-dimensional (2D) magnetoelectric multiferroics are promising multifunctional materials for miniaturized logic and memory devices. Herein, we explore the effectiveness of strain-engineering for tuning the properties of a recently…
Semiconducting two-dimensional (2D) antiferromagnetic (AFM) transition-metal thiophosphates (MPS3) offer promising opportunities for spintronic applications due to their highly tunable electronic properties. While alloying and intercalation…
Intrinsic magnetic topological insulators provide an ideal platform to achieve various exciting physical phenomena. However, this kind of materials and related research are still very rare. In this work, we reported the electronic and…