We present a strategy for realizing the nonvolatile electrical control of noncollinear magnetism based on first-principles calculations. confirm that VAl2S4 monolayer, rare two-dimensional type-II multiferroic material, shows an in-plane 120°-ordered antiferromagnetic ground state and spin spiral order induced out-of-plane ferroelectricity. In bilayers, we clarify chirality–sliding ferroelectricity locking effect, which enables flexible switching corresponding chirality through interlayer...

In van der Waals (vdW) architectures of transition metal dichalcogenides (TMDCs), the coupling between interlayer exciton and quantum degrees freedom opens unprecedented opportunities for excitonic physics. Taking MoSe2 homobilayer as representative, we identify that registry defines nature dynamics lowest-energy exciton. The large layer polarization (Pn) is proved, which ensures formation layer-resolved excitons. particular, sliding ferroelectric couples to dipole orientation exciton, thus...

In conjunction with the first-principles calculations, we confirm fascinating valley-selective linear dichroism and possibility of excitonic condensation in multiatomic-layer LaOBiS2 a tetragonal lattice by effective tight-binding model many-body perturbation theory. LaOBiS2, which indicates spontaneous valley polarization due to crystalline symmetry reduction rather than conventional time-reversal breaking, unravel that excitons X X' valleys exclusively coupled x- y-linearly polarized...

At present, creating sizable spontaneous valley polarization is at the center of study valleytronics, which, however, still a huge challenge. In this work, we determined that ferromagnetic Fe(OH)2 monolayer hexagonal lattice highly appealing candidate for valleytronics by using first-principles calculations in conjunction with tight-binding model analysis. light simultaneous inversion symmetry breaking and time-reversal breaking, illustrated strong spin–orbit coupling robust exchange...

An excellent n-type Ohmic contact forms between electrene Ca 2 N and semiconducting MoS monolayers, with a 100% tunneling probability perfect linear I – V curve.

In the current stage, valley-contrasting physics is mainly rooted in nonmagnetic and/or ferromagnetic hexagonal lattices and rarely used to observe simultaneous spin valley polarization antiferromagnetic materials. this work, we propose a general scheme that can be achieved easily experiments break PT joint symmetry of structures, is, introducing an out-of-plane potential gradient realize spin–valley splitting spontaneous polarization. combination model analysis first-principles...

In order to achieve valley polarization, breaking the time-reversal symmetry in two-dimensional hexagonal lattices with inversion asymmetry is heart of current valleytronic research, which, however, has caused studies stagnate due inevitable drawbacks. this work, we go beyond conventional paradigm and demonstrate novel physics by lowering crystalline instead symmetry. particular, translate our concept into concrete nonmagnetic LaOMX2 monolayers a tetragonal lattice, confirming that...

We propose a method to intrinsically realize the nonvolatile electrical control of noncollinear antiferromagnetism, and translate our idea concrete van der Waals $\mathrm{V}{\mathrm{I}}_{2}$ bilayers from first-principles calculations. In bilayer systems, we unravel that sliding ferroelectricity couples strongly spin spiral chirality each monolayer, which refer as chirality--sliding locking effect. this view, flexibly switch antiferromagnetism can be realized via interlayer sliding. Our work...

Exploration of high-temperature bosonic condensation is significant importance for the fundamental many-body physics and applications in nanodevices, which, however, remains a huge challenge. Here, combination perturbation theory first-principles calculations, new-type spatially indirect exciton can be optically generated two-dimensional (2D) Bi

In this work, on the basis of first-principles calculations we demonstrate that magnetic exchange frustration caused spin spiral can generate an electric polarization $(31.46\phantom{\rule{0.16em}{0ex}}\textmu{}\mathrm{C}/{\mathrm{m}}^{2})$ in two-dimensional (2D) $\mathrm{Mn}{\mathrm{Re}}_{2}{\mathrm{O}}_{8}$, which, therefore, be identified as a very rare type-II multiferroic material with robust magnetoelectric coupling. It is high interest ferroelectricity out plane, explained by...

In this work, we report that electrically controlled ferroic properties and multistate storage can be achieved in dual-metal trihalide ${\mathrm{WRuCl}}_{6}$ monolayer from the perspectives of first-principles calculations. We confirm it is a rare two-dimensional (2D) triferroics, and, particularly, ferromagnetism ferroelasticity are coupled strongly to ferroelectricity 120 \ifmmode^\circ\else\textdegree\fi{} rotation symmetry. It therefore enable flexible reversible switching orders via...