Related papers: Semimetallic and semiconducting graphene-hBN multi…
Electronic and topological properties of materials are derived from the interplay between crystalline symmetry and dimensionality. Simultaneously introducing 'forbidden' symmetries via quasiperiodic ordering with low-dimensionality into a…
Crystal symmetry plays a central role in governing a wide range of fundamental physical phenomena. One example is the nonlinear optical second harmonic generation (SHG), which requires inversion symmetry breaking. Here we report a unique…
Multi-layer graphene with rhombohedral stacking is a promising carbon phase possibly displaying correlated states like magnetism or superconductivity due to the occurrence of a flat surface band at the Fermi level. Recently, flakes of…
Graphene, the new wondrous material, is a perfect example of a two-dimensional hexagonal crystal unlike any other. Here we exhibit some of the characteristic directional features associated with hexagonal cells, emphasising the sixfold…
Topological semimetals, such as Dirac, Weyl, or line-node semimetals, are gapless states of matter characterized by their nodal band structures and surface states. In this work, we consider layered (topologically trivial) insulating systems…
Two dimensional materials are usually envisioned as flat, truly 2D layers. However out-of-plane corrugations are inevitably present in these materials. In this manuscript, we show that graphene flakes encapsulated between insulating…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
Graphene and other two-dimensional crystals can be combined to form various hybrids and heterostructures, creating materials on demand, in which the interlayer coupling at the interface leads to modified physical properties as compared to…
We present a real-space view of one-dimensional (1D) to three-dimensional (3D) topological materials with 13 representative samples selected from each class, including 1D trans-polyacetylene, two-dimensional (2D) graphene, and 3D…
Since the advent of graphene, two-dimensional (2D) materials become very attractive and there is growing interest to explore new 2D beyond graphene. Here, through density functional theory (DFT) calculations, we predict 2D wide-band-gap…
The electronic structure of a crystalline solid is largely determined by its lattice structure. Recent advances in van der Waals solids, artificial crystals with controlled stacking of two-dimensional (2D) atomic films, have enabled the…
Bilayer graphene has been a subject of intense study in recent years. We extend a structural phase field crystal method to include an external potential from adjacent layer(s), which is generated by the corresponding phase field and changes…
Graphene is a 2-dimensional (2D) carbon allotrope with the atoms arranged in a honeycomb lattice. The low-energy electronic excitations in this 2D crystal are described by massless Dirac fermions that have a linear dispersion relation…
Stackings in graphene have a pivotal role in properties to be discussed in the future, as seen in the recently found superconductivity of twisted bilayer graphene. Beyond bilayer graphene, the stacking order of multilayer graphene can be…
The family of 2D materials grows day by day, drastically expanding the scope of possible phenomena to be explored in two dimensions, as well as the possible van der Waals heterostructures that one can create. Such 2D materials currently…
The two inequivalent valleys in graphene preclude the protection against inter-valley scattering offered by an odd-number of Dirac cones characteristic of Z2 topological insulator phases. Here we propose a way to engineer a chiral…
Topological materials in crystal solids, including topological insulators (TIs), topological crystalline insulators (TCIs), topological Dirac semimetals (DSMs), topological Weyl semimetals (WSMs), topological Dirac or Weyl nodal line…
Solid materials possess both long-range order and some degree of disorder are critical for understanding the nature of crystal and glassy state, but how to controllable introduce specific type of disorder into a crystalline material is a…
Multilayer graphene with different stacking sequences has emerged as a powerful setting for correlated and topological phases. In parallel, progress in graphene heterostructures with magnetic or correlated materials-most notably the Kitaev…
A novel crystalline structure of hybrid monolayer hexagonal boron nitride (BN) and graphene is predicted by means of the first-principles calculations. This material can be derived via boron or nitrogen atoms substituted by carbon atoms…