Related papers: Polarization-driven band topology evolution in twi…
Topologically nontrivial materials host protected edge states associated with the bulk band inversion through the bulk-edge correspondence. Manipulating such edge states is highly desired for developing new functions and devices practically…
Experimental demonstrations of tunable correlation effects in magic-angle twisted bilayer graphene have put two-dimensional moir\'e quantum materials at the forefront of condensed-matter research. Other twisted few-layer graphitic…
We reveal by first-principles calculations that the interlayer binding in a twisted MoS2/MoTe2 heterobilayer decreases with increasing twist angle, due to the increase of the interlayer overlapping degree, a geometric quantity describing…
Engineering moir\'e superlattices in van der Waals heterostructures provides fundamental control over emergent electronic, structural, and optical properties allowing to affect topological and correlated phenomena. This control is achieved…
Tailoring electron transfer dynamics across solid-liquid interfaces is fundamental to the interconversion of electrical and chemical energy. Stacking atomically thin layers with a very small azimuthal misorientation to produce moir\'e…
We have investigated interlayer interactions in the bilayer PtTe$_{2}$ system, which influence the electronic energy bands near the Fermi levels. Our diffusion Monte Carlo (DMC) calculations for the high-symmetry bilayer stackings (AA, AB,…
The structure factor is a useful observable for probing charge density correlations in real materials, and its long-wavelength behavior encapsulated by ``quantum weight'' has recently gained prominence in the study of quantum geometry and…
We study the conduction band spin splitting that arises in transition metal dichalcogenide (TMD) semiconductor monolayers such as MoS$_2$, MoSe$_2$, WS$_2$ and WSe$_2$ due to the combination of spin-orbit coupling and lack of inversion…
Heterostructures are ubiquitous in many optoelectronic devices and as photocatalysts. One of the key features of a heterojunction is the proper band alignment between the two materials. Estimation of the correct relative band positions with…
Unlike the spin-1/2 fermions, the Lieb and Dice lattices both host triply-degenerate low-energy excitations. Here, we discuss Moir\'e structures involving twisted bilayers of these lattices, which are shown to exhibit a tunable number of…
Moir\'e phonons describe collective vibrations of a moir\'e superlattice produced by long-wavelength relative displacements of the constituent layers. Despite coming from the backfolding of the acoustic phonons of the individual layers,…
While moir\'e phenomena have been extensively studied in low-carrier-density systems such as graphene and semiconductors, their implications for metallic systems with large Fermi surfaces remain largely unexplored. Using GPU-accelerated…
Recently, the topological flat bands and spin Hall effect have been experimentally observed in the AB-stacked MoTe$_2$/WSe$_2$ heterostructures. In this work, we systematically study the Berry curvature effects in moir\'{e} transition metal…
We study electron-electron interaction induced states of twisted bilayer MoTe$_2$ in an out-of-plane magnetic field $B\hat{\bf z}$ near one hole per moir\'e unit cell filling. The 3D phase diagram showing the evolution of competing phases…
Interlayer rotation and stacking were recently demonstrated as effective strategies for tuning physical properties of various two-dimensional materials. The latter strategy was mostly realized in hetero-structures with continuously varied…
The structures and properties of moire patterns in twisted bilayers of two-dimensional (2D) materials are known to depend sensitively on twist angle, yet their dependence on stacking order remains comparatively underexplored. In this study,…
It is now well established theoretically and experimentally that a moir\'e pattern, due to a rotation of two atomic layers with respect to each other, creates low-energy flat bands. First discovered in twisted bilayer graphene, these new…
Emergence of topological states in strongly correlated systems, particularly two-dimensional (2D) transition-metal dichalcogenides, offers a platform for manipulating electronic properties in quantum materials. However, a comprehensive…
We report experimental and theoretical studies of MoTe$_2$-MoSe$_2$ heterobilayers with rigid moir\'e superlattices controlled by the twist angle. Using an effective continuum model that combines resonant interlayer electron tunneling with…
Long-range moire patterns in twisted WSe2 enable a built-in, moire-length-scale ferroelectric polarization that can be directly harnessed in electronic devices. Such a built-in ferroic landscape offers a compelling means to enable…