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Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…
We have investigated the bulk and surface electronic structures and band topology of TlBiS$_2$ as a function of strain and electric field using \textit{ab-initio} calculations. In its pristine form, TlBiS$_2$ is a normal insulator, which…
Two-dimensional topological insulators (2DTIs), which host the quantum spin Hall (QSH) effect, are one of the key materials in next-generation spintronic devices. To date, experimental evidence of the QSH effect has only been observed in a…
Two-dimensional(2D) multiferroic materials hold significant promise for advancing the miniaturization and integration of nanodevices. In this study, we demonstrate that 2D bilayer ScI2, which exhibits ferromagnetic(FM) ordering within each…
Topological insulators (TIs) are a promising class of materials for manipulating the magnetization of an adjacent ferromagnet (FM) through the spin-orbit torque (SOT) mechanism. However, current studies combining TIs with conventional FMs…
HgTe quantum wells possess remarkable physical properties as for instance the quantum spin Hall state and the 'single-valley' analog of graphene, depending on their layer thicknesses and barrier composition. However, double HgTe quantum…
The coupling of spin and valley physics is nowadays regarded as a promising route toward next-generation spintronic and valleytronic devices. In the aim of engineering functional properties for valleytronic applications, we focus on the…
The magnetoelectric effect and skyrmions are two fundamental phenomena in the field of condensed-matter physics. Here, using first-principles calculations and Monte-Carlo simulations, we propose that strong magnetoelectric coupling can be…
Based on ab initio calculations, we predict that a monolayer of Cr-doped (Bi,Sb)2Te3 and GdI2 heterostructure is a quantum anomalous Hall insulator with a non-trivial band gap up to 38 meV. The principle behind our prediction is that the…
We explore potentials that break time-reversal symmetry to confine the surface states of 3D topological insulators into quantum wires and quantum dots. A magnetic domain wall on a ferromagnet insulator cap layer provides interfacial states…
We propose a multiterminal nanostructure for electrical probing of the quantum spin Hall effect (QSHE) in two-dimensional (2D) topological insulators. The device consists of a ferromagnetic (FM) island with precessing magnetization that…
Vertical ferroelectricity where a net dipole moment appears as a result of in-plane ionic displacements has gained enormous attention following its discovery in transition metal dichalcogenides. Based on first-principles calculations, we…
Topological insulators (TIs) show rich phenomena and functions which can never be realized in ordinary insulators. Most of them come from the peculiar surface or edge states. Especially, the quantized anomalous Hall effect (QAHE) without an…
Quantum spin Hall (QSH) materials are two-dimensional systems exhibiting insulating bulk and helical edge states simultaneously. A QSH insulator processes topologically non-trivial edge states protected by time-reversal symmetry, so that…
Going beyond the bistability paradigm of the charge polarizations in ferroelectrics is highly desired for ferroelectric (FE) memory devices toward ultra-high-density information storage. Here, we propose to build multistates by combining…
Topological insulators (TIs) are a novel class of materials with nontrivial surface or edge states. Time-reversal symmetry (TRS) protected TIs are characterized by the Z2 topological invariant and their helical property becomes lost in an…
While transition metal dichalcogenide (TMD) based moire materials have been shown to host various correlated electronic phenomena, topological states have not been experimentally observed until now. In this work, using first principles…
Realizations of some topological phases in two-dimensional systems rely on the challenge of jointly incorporating spin-orbit and magnetic exchange interactions. Here, we predict the formation and control of a fully valley-polarized quantum…
It has been demonstrated that topological quantum spin Hall (QSH) state exist in twisted bilayers of transition metal dichalcogenides. However, a comprehensive theoretical characterization of the topological edge states remains a topic of…
Two-dimensional quantum antiferromagnets are believed to host phases of matter whose excitations are more fundamental than those of the ordered phases. When combining two such spin systems in a bilayer, strong interaction between the…