Related papers: Tunable spin polarization and electronic structure…
By a combined study with first-principles calculations and symmetry analysis, we theoretically investigate the electronic properties of monolayer MoSi$_2$N$_4$. While the spin-orbital coupling results in bands splitting, the horizontal…
In a recent work, new two-dimensional materials, the monolayer MoSi$_{2}$N$_{4}$ and WSi$_{2}$N$_{4}$, have been successfully synthesized in experiment, and several other monolayer materials with the similar structure, such as…
The electronic structure of two-dimensional (2D) materials are inherently prone to environmental perturbations, which may pose significant challenges to their applications in electronic or optoelectronic devices. A 2D material couples with…
In this work, the electrical and spin properties of monolayer MoSi2X4 (X= N, P, As, and Sb) under vertical strain are investigated. The band structures state that MoSi2N4 is an indirect semiconductor, whereas other compounds are direct…
MA2Z4 monolayers form a new class of hexagonal non-centrosymmetric materials hosting extraordinary spin-valley physics. While only two compounds (MoSi2N4 and WSi2N4) were recently synthesized, theory predicts interesting (opto)electronic…
The new two-dimensional materials, MoSi$_2$N$_4$ and WSi$_2$N$_4$ are experimentally synthesized successfully and various similar structures are predicted theoretically. Here, we report the electronic properties with a special focus on the…
Thinning crystalline materials to two dimensions (2D) creates a rich playground for electronic phases, including charge, spin, superconducting, and topological order. Bulk materials hosting charge density waves (CDWs), when reduced to…
Time reversal dictates that nonmagnetic, centrosymmetric crystals cannot be spin-polarized as a whole. However, it has been recently shown that the electronic structure in these crystals can in fact show regions of high spin-polarization,…
Monolayer transition metal dichalcogenides (TMDs) with strong spin-orbit coupling combined with broken inversion symmetry, leading to a coupling of spin and valley degrees of freedom, make these materials highly interesting for potential…
The coexistence of seemingly mutually exclusive properties such as ferromagnetism, ferroelectricity and metallicity in atomically thin materials is the requirement of the hour in electronics as the Moore's law faces an impending end. Only a…
The valley degree of freedom and the possibility of spin-valley coupling of solid materials have attracted growing interest, and the relaxation dynamics of spin- and valley-polarized states has become an important focus of recent studies.…
The advent of two-dimensional (2D) crystals has led to numerous scientific breakthroughs. Conventional 2D systems have in-plane covalent bonds and a weak out-of-plane van-der-Waals bond. Here we report a new type of 2D material composed of…
Spin splitting bands that arises in conduction band minimum (CBM) of WS2 monolayer (ML) play an important role in the new spin-orbit phenomena such as spin-valley coupled electronics. However, application of strain strongly modifies…
The two-dimensional (2D) multiferroic materials have widespread of application prospects in facilitating the integration and miniaturization of nanodevices. However, it is rarely coupling between the magnetic, ferroelectric, and ferrovalley…
Twisted magnetic van der Waals (vdW) materials offer a promising route for multiferroic engineering, yet modeling large-scale moir\'e superlattices remains challenging. Leveraging a newly developed SpinGNN++ framework that effectively…
Electronic correlations could have significant impact on the material properties. They are typically pronounced for localized orbitals and enhanced in low-dimensional systems, so two-dimensional (2D) transition metal compounds could be a…
In type II multiferroics, noncollinear spin textures are expected to induce electric polarization directly, leading to strong magnetoelectric coupling. Realizing such spin driven multiferroicity in two-dimensional systems, and elucidating…
Quantum spin Hall (QSH) insulators exhibit spin-polarized conducting edge states that are topologically protected from backscattering and offer unique opportunities for addressing fundamental science questions and device applications.…
Manipulating spin polarization of electrons in nonmagnetic semiconductors by means of electric fields or optical fields is an essential theme of the conceptual nonmagnetic semiconductor-based spintronics. Here we experimentally demonstrate…
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…