The Coexistence of Superconductivity and Topological Order in Van der Waals InNbS2.

The research on systems with coexistence of superconductivity and nontrivial band topology has attracted widespread attention. However, the limited availability of material platforms severely hinders the research progress. Here, it reports the first experimental synthesis and measurement of high-quality single crystal van der Waals transition-metal dichalcogenide InNbS2 , revealing it as a topological nodal line semimetal with coexisting superconductivity. The temperature-dependent measurements of magnetization susceptibility and electrical transport show that InNbS2 is a type-II superconductor with a transition temperature Tc of 6 K. First-principles calculations predict multiple topological nodal ring states close to the Fermi level in the presence of spin-orbit coupling. Similar features are also observed in the as-synthesized BiNbS2 and PbNbS2 samples. This work provides new material platforms ANbS2 (A = In, Bi, and Pb) and uncovers their intriguing potential for exploring the interplay between superconductivity and band topology.

Phonon Chirality Manipulation Mechanism in Transition-Metal Dichalcogenide Interlayer-Sliding Ferroelectrics.

As an ideal platform, both the theoretical prediction and first experimental verification of chiral phonons are based on transition-metal dichalcogenide materials. The manipulation of phonon chirality in these materials will have a profound effect on the study of chiral phonons. In this work, we utilize the sliding ferroelectric effect to realize the phonon chirality manipulation mechanism in transition-metal dichalcogenide materials. Based on first-principles calculations, we find the different manipulation effects of interlayer sliding on the phonon chirality and Berry curvature in bilayer and four-layer MoS2 sliding ferroelectrics. These further affect the phonon angular momentum and magnetization under a temperature gradient and the phonon Hall effect under a magnetic field. Our work connects two emerging fields and opens up a new route to manipulating phonon chirality in transition-metal dichalcogenide materials through the sliding ferroelectric mechanism.

Two-dimensional Janus Si dichalcogenides: a first-principles study.

Strong structural asymmetry is actively explored in two-dimensional (2D) materials, because it can give rise to many interesting physical properties. Motivated by the recent synthesis of monolayer Si2Te2, we explored a family of 2D materials, named Janus Si dichalcogenides (JSD), which parallel the Janus transition metal dichalcogenides and exhibit even stronger inversion asymmetry. Using first-principles calculations, we show that their strong structural asymmetry leads to a pronounced intrinsic polar field, sizable spin splitting, and large piezoelectric response. The spin splitting involves an out-of-plane spin component, which is beyond the linear Rashba model. The piezoelectric tensor has a large value in both in-plane d11 coefficient and out-of-plane d31 coefficient, making monolayer JSDs distinct among existing 2D piezoelectric materials. In addition, we find interesting strain-induced phase transitions in these materials. Particularly, there are multiple valleys that compete for the conduction band minimum, which will lead to notable changes in the optical and transport properties under strain. Our work reveals a new family of Si based 2D materials, which could find promising applications in spintronic and piezoelectric devices.

Ferroelectricity and multiferroicity in two-dimensional Sc2P2Se6 and ScCrP2Se6 monolayers.

Two-dimensional (2D) multiferroic materials with coexistence of ferroelectricity and ferromagnetism have attracted extensive research interest due to novel physical properties and potential applications, such as in non-volatile storage nanodevices. Here, using first-principles calculations, we predicted two types of 2D materials, Sc2P2Se6 and ScCrP2Se6 monolayers with ferroelectric (FE) and multiferroic properties, respectively. The Sc2P2Se6 monolayer has out-of-plane FE polarization originating from the asymmetrical arrangement of P atoms. The FE phase is separated from the antiferroelectric (AFE) phase by an energy barrier of 0.13 eV, ensuring the stability of the FE state at room temperature. The ScCrP2Se6 monolayer formed by substituting half of the Sc atoms of Sc2P2Se6 with Cr exhibits multiferroic properties. The magnetic ground state of the ScCrP2Se6 monolayer is tunable, due to the disparity of an indirect exchange interaction between the FE and AFE phases. A reversible electrical switching between the ferromagnetic and antiferromagnetic states can be achieved in a multiferroic ScCrP2Se6 monolayer. Our theoretical results offer a new platform for the further study of 2D multiferroicity and nonvolatile magnetoelectric nanodevices.

Floquet-Dirac fermions in monolayer graphene by Wannier functions.

Wannier functions have been widely applied in the study of topological properties and Floquet-Bloch bands of materials. Usually, the real-space Wannier functions are linked to thek-space Hamiltonian by two types of Fourier transform (FT), namely lattice-gauge FT (LGFT) and atomic-gauge FT (AGFT), but the differences between these two FTs on Floquet-Bloch bands have rarely been addressed. Taking monolayer graphene as an example, we demonstrate that LGFT gives different topological descriptions on the Floquet-Bloch bands for the structurally equivalent directions which are obviously unphysical, while AGFT is immune to this dilemma. We introduce the atomic-laser periodic effect to explain the different Floquet-Bloch bands between the LGFT and AGFT. Using AGFT, we showed that linearly polarized laser could effectively manipulate the properties of the Dirac fermions in graphene, such as the location, generation and annihilation of Dirac points. This proposal offers not only deeper understanding on the role of Wannier functions in solving the Floquet systems, but also a promising platform to study the interaction between the time-periodic laser field and materials.

Multiple Dirac cones and Lifshitz transition in a two-dimensional Cairo lattice as a Hawking evaporation analogue.

The linear energy-momentum dispersion of Dirac cones offers a unique platform for mimicking the fantastical phenomena in high energy physics, such as Dirac fermions and black hole (BH) horizons. Three types of Dirac cones (I, III, and II) with different tilts have been proposed individually in specific materials but lack of integral lattice model. Here, we demonstrated the three types of Dirac cones inherited in aπ-conjugated Cairo lattice of double-degeneratedπandpzorbitals by means of tight-binding (TB) approach, which paves a way for the design of two-dimensional (2D) Dirac materials. From first-principles calculations, we predicted a candidate material,penta-NiSb2monolayer, to achieve these multiple Dirac cones and the Lifshitz transition between different Dirac cones driven by external biaxial strain. The coexistence of the three types of Dirac cones renderspenta-NiSb2monolayer a promising 2D fermionic analogue to simulate the event-horizon evaporation with a high Hawking temperature.