相关论文: Thermal transport mapping in twisted double bilaye…

Designer 2D materials where the constituent layers are not aligned may result in band structures with dispersionless, "flat" bands. Twisted bilayer graphene has been found to show correlated phases as well as superconductivity related to…

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…

Chemical bonding in 2D layered materials and van der Waals solids is central to understanding and harnessing their unique electronic, magnetic, optical, thermal and superconducting properties. Here we report the discovery of spontaneous,…

Magic angle twisted bilayer graphene has emerged as a powerful platform for studying strongly correlated electron physics, owing to its almost dispersionless low-energy bands and the ability to tune the band filling by electrostatic gating.…

Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the…

We report on thermal transport properties in 2 and 3 dimensions interconnected nanowire networks (strings and nodes). The thermal conductivity of these nanostructures decreases in increasing the distance of the nodes, reaching ultra-low…

The field of two-dimensional (2D) materials has expanded to multilayered systems where electronic, optical, and mechanical properties change-often dramatically-with stacking order, thickness, twist, and interlayer spacing [1-5]. For…

Recent experiments on twisted bilayer graphene (tBG) close to magic angle show that a small relative rotation in a van der Waals heterostructure greatly alters its electronic properties. We consider various scattering mechanisms and show…

Strain, both naturally occurring and deliberately engineered, can have a considerable effect on the structural and electronic properties of 2D and layered materials. Uniaxial or biaxial heterostrain modifies the stacking arrangement of…

Two-dimensional materials have unusual phonon structures due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to study heat transport in such materials, conventional…

We explore the electronic structure and transport properties of a metal on top of a (weakly coupled) two-dimensional topological insulator. Unlike the widely studied junctions between topological non-trivial materials, the systems studied…

We present a theoretical investigation of the emergence of chiral topological superconductivity in small-angle twisted bilayer graphene (tBLG) and twisted double bilayer graphene (tDBLG). Using the low-energy continuum model and…

Understanding the relationship between the microstructures and overall properties is one of the basic concerns for the material design and applications. As a ubiquitous structural configuration in nature, the folded morphology is also…

We present a comprehensive first-principles study of twisted bilayer graphene (tBLG) for a wide range of twist angles, with a focus on structural and electronic properties. By employing density functional theory (DFT) with an optimized…

Understanding thermal transport in layered transition metal dichalcogenide (TMD) crystals is crucial for a myriad of applications exploiting these materials. Despite significant efforts, several basic thermal transport properties of TMDs…

Nanomechanical measurements of minimally twisted van der Waals materials remained elusive despite their fundamental importance for device realisation. Here, we use Ultrasonic Force Microscopy (UFM) to locally quantify the variation of…

The electronic properties of bilayer graphene strongly depend on relative orientation of the two atomic lattices. Whereas Bernal-stacked graphene is most commonly studied, a rotational mismatch between layers opens up a whole new field of…

We calculate the contribution to the doping ($n$) and temperature ($T$) dependence of the electrical resistivity of twisted bilayer graphene (TBLG) due to scattering by acoustic phonons. Our calculation retains the full Bistritzer-MacDonald…

Electrical and thermal transport across material interfaces is key for 2D electronics in semiconductor technology, yet their relationship remains largely unknown. We report a theoretical proposal to separate electronic and phononic…

Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…