相关论文: Tunable Electronic Structure and Magnetic Coupling…

Diverse interlayer tunability of physical properties of two-dimensional layers mostly lies in the covalent-like quasi-bonding that is significant in electronic structures but rather weak for energetics. Such characteristics result in…

Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. Recently synthesized two-dimensional transition metal carbides…

The quest for electric-field control of nanoscale magnetic states such as skyrmions, which would impact the field of spintronics, has led to a challenging search for multiferroic materials or structures with strong magnetoelectric coupling…

Here we systematically investigate the impact of the spin direction on the electronic and optical properties of transition metal phosphorus trichalcogenides (MPX$_3$, M=Mn, Ni, Fe; X=S, Se) exhibiting various antiferromagnetic arrangement…

Exploring intrinsic magnetic topological insulators (TIs) for next-generation spintronic devices is still challenging in recent years. Here, we present a theoretical investigation on the electronic, magnetic and topological properties of…

Single layers of transition-metal thiophosphates (2D-TMPS$_{3}$) van der Waals magnets are an ideal platform for studying antiferromagnetic interactions in two dimensions. However, the magnetic coupling mechanism between two or more…

Coupled nanomechanical resonators made of two-dimensional materials are promising for processing information with mechanical modes. However, the challenge for these types of systems is to control the coupling. Here, we demonstrate strong…

Using \textit{ab initio} methodology, we reveal a strain-mediated approach to precisely tune the magnetoelectric coupling and spin-driven emergent polarization of NiX$_2$ (X = I, Br) monolayers. In the absence of strain, these systems…

Generally, one has two strategies to achieve magnetic frustration: through geometric means or interactions with different length scales. As the former leads to much simpler theoretical treatments it is favored and so magnetic sublattices…

Experimental and theoretical studies of manganese deposition on graphene/Ni(111) shows that a thin ferromagnetic Ni3Mn layer, which is protected by the graphene overlayer, is formed upon Mn intercalation. The electronic bands of graphene…

Spin-based electronics or spintronics is an emerging field, in which we try to utilize spin degrees of freedom as well as charge transport in materials and devices. While metal-based spin-devices, such as magnetic-field sensors and…

Exotic quantum phenomena often emerge near an electronic delocalization transition (EDT) from an antiferromagnetic insulating phase to a strongly correlated metallic state under pressure. We report the pressure-induced structural and…

We systematically investigate the electronic structure and magnetic properties of two dimensional (2D) MPX$_3$ (M= V, Cr, Mn, Fe, Co, Ni, Cu, Zn, and X = S, Se, Te) transition metal chacogenophosphates to examine their potential role as…

The electronic structure and magnetic properties of La_{1-x}A_{x}MnO_3 are investigated. It is assumed that, at the outermost layer, the environment of the Mn ions does not have cubic symmetry. The e_g orbitals are split and the double…

We apply the density-functional theory to study various phases (including non-magnetic (NM), anti-ferromagnetic (AFM), and ferromagnetic (FM)) in monolayer magnetic chromium triiodide (CrI$_3$), a recently fabricated 2D magnetic material.…

The interplay between magnetic order and electronic topology in van der Waals materials enables extreme responses to external stimuli. The nodal-line semiconductor Mn3Si2Te6 exemplifies this, exhibiting colossal angular magnetoresistance…

The ferrimagnetic spinel Mn3O4 exhibits large and anisotropic changes in electronic and structural properties in response to an applied magnetic field. These changes are thought to result from the field-dependent tuning---via strong…

Antiferromagnets that display very small stray magnetic field are ideal for spintronic applications. Of particular interest are non-collinear, chiral antiferromagnets of the type Mn3X (X=Sn, Ge), which display a large magnetotransport…

We study the magnetic structure of the (LaMnO$_3$)$_{2n}$/(SrMnO$_3$)$_n$ superlattices from density-functional calculations. In agreement with the experiments, we find that the magnetism changes with the layer thickness `n'. The reason for…

Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…