Related papers: Interlayer Magnetic Coupling in FePS$_{3}$ and NiP…
Layered magnetic transition-metal thiophosphate NiPS3 has unique two-dimensional (2D) magnetic properties and electronic behavior. The electronic band structure and corresponding magnetic state are expected to sensitive to the interlayer…
We study the thickness dependence of the electronic, magnetic, and optical properties of a NiPS$_3$ thin film, an antiferromagnetic charge-transfer insulator. Utilizing state-of-the-art advanced density functionals, we find the…
Two-dimensional antiferromagnets are promising materials for spintronics. The van der Waals antiferromagnet NiPS$_3$ has attracted extensive interest due to its ultra-narrow exciton feature which is closely linked with the magnetic…
Topological insulators represent a paradigm shift in surface physics. The most extensively studied Bi$_2$Se$_3$-type topological insulators exhibit layered structures, wherein neighboring layers are weakly bonded by van der Waals…
FePS$_3$ is a prototype van der Waals layered antiferromagnet and a Mott insulator under ambient conditions, which has been recently reported to go through a pressure-induced dimensionality crossover and an insulator-to-metal transition.…
Van der Waals magnets are uniquely positioned at the intersection between two-dimensional materials, antiferromagnetic spintronics, and magnonics. The interlayer exchange interaction in these materials enables antiferromagnetic resonances…
Recently, three different magnetic states were observed experimentally in trilayer CrI3 under pressure,including ferromagnetic (FM)-upupup, FM-downupdown and FM-upupdown. To reveal the nature of the observed three magnetic states, we…
The magnetic properties of Nd${}_2$Fe${}_{14}$B (NFB)/transition metal (TM = Fe, Co) multilayer systems are studied on the basis of first-principles density functional calculations. We optimize the model structure under a variety of…
Over the past two decades, significant progress in two-dimensional (2D) materials has invigorated research in condensed matter and material physics in low dimensions. While traditionally studied in three-dimensional systems, magnetism has…
The interplay between a multitude of electronic, spin, and lattice degrees of freedom underlies the complex phase diagrams of quantum materials. Layer stacking in van der Waals (vdW) heterostructures is responsible for exotic electronic and…
The interlayer coupling is emerging as a new parameter for tuning the physical properties of two-dimensional (2D) van der Waals materials. When two identical semiconductor monolayers are stacked with a twist angle, the periodic interlayer…
The exchange bias phenomenon, inherent in exchange-coupled ferromagnetic and antiferromagnetic systems, has intrigued researchers for decades. Van der Waals materials, with their layered structure, provide an optimal platform for probing…
We predict that antiferromagnetic bilayers formed from van der Waals (vdW) materials, like bilayer CrI$_3$, have a strong magnetoelectric response that can be detected by measuring the gate voltage dependence of Faraday or Kerr rotation…
Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two dimensional material assemblies where long-range moir\'e patterns arise due to small lattice constant…
Two-dimensional (2D) layered materials, whether in bulk form or reduced to just a single layer, have potential applications in spintronics and capacity for advanced quantum phenomena. A prerequisite for harnessing these opportunities lies…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
Thin film magnetic heterostructures with competing interfacial coupling and Zeeman energy pro- vide a fertile ground to study phase transition between different equilibrium states as a function of external magnetic field and temperature. A…
Antiferromagnetic (AFM) van der Waals (vdW) materials provide a novel platform for synthetic AFM spintronics, in which the spin-related functionalities are derived from manipulating spin configurations between the layers. Metallic vdW…
The interlayer coupling between (Ga,Mn)As ferromagnetic layers in all-semiconductor superlattices is studied theoretically within a tight-binding model, which takes into account the crystal, band and magnetic structure of the constituent…
Transition metal oxides are well known for their complex magnetic and electrical properties. When brought together in heterostructure geometries, they show particular promise for spintronics and colossal magnetoresistance applications. In…