相关论文: Breathing modes in few-layer MoTe$_2$ activated by…

Nonlinear light-matter interactions in structured materials are the source of exciting properties and enable vanguard applications in photonics. However, the magnitude of nonlinear effects is generally small, thus requiring high optical…

From monolayers composed of different atoms, we can build structures with spontaneous vertical polarization by conveniently stacking multiple layers. We have studied, using first-principles methods and based on modern polarization theory, a…

The production of high-quality two-dimensional (2D) materials is essential for the ultimate performance of single layers and their hybrids. Hexagonal boron nitride (h-BN) is foreseen to become the key 2D hybrid and packaging material since…

Lattice reconstruction and corresponding strain accumulation play a key role in defining the electronic structure of two-dimensional moir\'e superlattices, including those of transition metal dichalcogenides (TMDs). Imaging of TMD moir\'es…

We investigate tunneling in metal-insulator-metal junctions employing few atomic layers of hexagonal boron nitride (hBN) as the insulating barrier. While the low-bias tunnel resistance increases nearly exponentially with barrier thickness,…

We study commensuration-driven torques and angle locking in double-moir\'e trilayer hexagonal boron nitride (hBN) and graphene heterostructures using large-scale atomistic relaxations. In twisted trilayer hBN (t3BN) homostructures,…

Two-dimensional group III monochalcogenides have recently attracted quite attention for their wide spectrum of optical and electric properties, being promising candidates for optoelectronic and novel electrical applications, however in…

The scalable synthesis of two-dimensional (2D) hexagonal boron nitride (h-BN) is of great interest for its numerous applications in novel electronic devices. Highly-crystalline h-BN films, with single-crystal sizes up to hundreds of…

Novel materials with tunable magnetic states play a significant role in the development of next-generation spintronic devices. In this paper, we examine the role of biaxial strain on the electronic properties of vacancy-decorated hexagonal…

Large, high-quality layers of hexagonal boron nitride (hBN) are a prerequisite for further advancement in scientific investigation and technological utilization of this exceptional 2D material. Here we address this demand by investigating…

We review vibrational and electronic properties of single and a few layer MoS$_2$ relevant to understand their resonant and non-resonant Raman scattering results. In particular, the optical modes and low frequency shear and layer breathing…

Recently, the in-plane thermal transport in van der Waals (vdW) materials such as graphene, hexagonal boron nitride (h-BN), and transition metal dichalcogenides (TMDs) has been widely studied. Whereas, the cross-plane one is far from…

Understanding the limits of phononic heat dissipation from a two-dimensional layered material (2DLM) to its hexagonal boron nitride (h-BN) substrate and how it varies with the structure of the 2DLM is important for the design and thermal…

The effect of an hexagonal boron nitride (hBN) layer close aligned with twisted bilayer graphene (TBG) is studied. At sufficiently low angles between twisted bilayer graphene and hBN, $\theta_{hBN} \lesssim 2^\circ$, the graphene electronic…

The emerging interest in van der Waals heterostructures as new materials for opto-electronics and photonics poses questions about their stability and structure-property relations. In the framework of density-functional and many-body…

The performance of electronic and spintronic devices based on two-dimensional semiconductors (2D SC) is largely dependent on the quality and resistance of the metal/SC electrical contacts, as well as preservation of the intrinsic properties…

We use a combination of symmetry analysis, phenomenological modelling and first-principles density functional theory to explore the interplay between the magnetic ground state and the detailed atomic structure in the hexagonal rare-earth…

Encapsulating few-layer graphene (FLG) in hexagonal boron nitride (hBN) can cause nanoscale inhomogeneities in the FLG, including changes in stacking domains and topographic defects. Due to the diffraction limit, characterizing these…

The intercalation-induced phase transition of MoS2 from the semiconducting 2H to the semimetallic 1T' phase has been studied in detail for nearly a decade; however, the effects of a heterointerface between MoS2 and other two-dimensional…

Tantalum diselenide (TaSe$_{2}$) is a metallic transition metal dichalcogenide whose equilibrium structure and vibrational behavior strongly depends on temperature and thickness, including the emergence of charge density wave (CDW) states…