相关论文: WannierTools: An open-source software package for …
We construct a Wannier basis for twisted bilayer graphene that is projected only from the Bloch functions of the twisted bilayer flat bands. The $C_3$ and $C_{2} \mathcal{T}$ symmetries act locally on the Wannier functions while the Wannier…
Quantum topological materials, exemplified by topological insulators, three-dimensional Dirac semimetals and Weyl semimetals, have attracted much attention recently because of their unique electronic structure and physical properties. Very…
We introduce a new type of Wannier functions (WFs) obtained by minimizing the conventional spread functional with a penalty term proportional to the variance of the spread distribution. This modified Wannierisation scheme is less prone to…
Topological phases of matter are generally characterized by topological properties of energy bands of a system. Their transitions under preserved symmetries occur through closing a gap of energy bands, leading to topologically protected…
The intersection of electronic topology and strong correlations offers a rich platform to discover exotic quantum phases of matter and unusual materials. An overarching challenge that impedes the discovery is how to diagnose topology in…
Moir\'e superlattice designed in stacked van der Waals material provides a dynamic platform for hosting exotic and emergent condensed matter phenomena. However, the relevance of strong correlation effects and the large size of moir\'e unit…
We study Wilson loops as a necessary tool for unambiguous identification of non-Abelian synthetic gauge fields, with attention to certain crucial but often overlooked features, such as the requirement of at least three distinct loops. We…
Topological materials are defined by the correspondence between bulk topology and boundary states, yet this correspondence becomes enigmatic on low-symmetry surfaces where bulk and surface periodicities are inherently mismatched. Here we…
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…
Artificially constructed van der Waals heterostructures (vdWHs) provide an ideal platform for realizing emerging quantum phenomena in condensed matter physics. Two methods for building vdWHs have been developed: stacking two-dimensional…
Moire patterns in van der Waals bilayer materials complicate the analysis of atomic-resolution images, hindering the atomic-scale insight typically attainable with scanning transmission electron microscopy. Here, we report a method to…
Photoelastic force imaging is an experimental technique whereby a birefringent granular material is imaged with a polariscope to characterize the internal stress state of a granular material. Photoelasticimetry is the only proven…
Berry curvature physics and quantum geometric effects have been instrumental in advancing topological condensed matter physics in recent decades. Although Landau level-based flat bands and conventional 3D solids have been pivotal in…
Based on ab initio software packages using nonorthogonal localized orbitals, we develop a general scheme of calculating response functions. We test the performance of this method by calculating nonlinear optical responses of materials, like…
Two-dimensional layered materials, such as transition metal dichalcogenides (TMDs), possess intrinsic van der Waals gap at the layer interface allowing for remarkable tunability of the optoelectronic features via external intercalation of…
The ability to create superlattices in van der Waals (vdW) heterostructures via moir\'e interference heralded a new era in the science and technology of two-dimensional materials. Through precise control of the twist angle, flat bands and…
A new scheme for the computation of dispersive interactions from first principles is presented. This cost-effective approach relies on a Wannier function representation compatible with density function theory descriptions. This is an…
Topological phases of materials are characterized by topological invariants that are conventionally calculated by different means according to the dimension and symmetry class of the system. For topological materials described by Dirac…
We introduce NetworKit, an open-source software package for analyzing the structure of large complex networks. Appropriate algorithmic solutions are required to handle increasingly common large graph data sets containing up to billions of…
With its monoelemental composition, various crystalline forms and an inherently strong spin-orbit coupling, bismuth has been regarded as an ideal prototype material to expand our understanding of topological electronic structures. In…