相关论文: Three-dimensional graphdiyne as a topological noda…
Herein, we conduct a comprehensive investigation of Hexa-graphyne (HXGY), a planar carbon allotrope formed by distorted hexagonal and rectangular rings incorporating sp and sp$^2$-hybridized carbon atoms. First-principles calculations…
Extending the Dirac physics of two-dimensional (2D) graphene into three dimensions (3D) carbon allotropes with higher-dimensional band degeneracies remains a central challenge in topological materials science. Here, we propose a general…
Topological band theory has revolutionized our understanding of electronic structure of materials, in particular, a novel state - Weyl semimetal - has been predicted for systems with strong spin-orbit coupling (SOC). Here, a new class of…
We present a model of a topological semimetal in three dimensions (3D) whose energy spectrum exhibits a nodal line acting as a vortex ring; this in turn is linked by a pseudospin structure akin to that of a smoke ring. Contrary to a Weyl…
We study a topological phase diagram of a ferromagnetic topological nodal semimetal. We consider a lattice model for three-dimensional topological insulators with ferromagnetic ordering. The exchange coupling between the magnetization and…
We study the electronic structure and topological properties of monolayer and ABC-stacked multilayer of graphyne-$N$, which are a family of planar carbon sheets consisting of $sp$ and $sp_2$-bonding. By using the density-functional theory…
A rectangular graphyne sheet is composed of units similar to phenyl rings that are linked by acetylenic chains, as in hexagonal $\gamma$-graphyne. This system is organized over a rectangular lattice similar to that of the recently…
Two-dimensional (2D) carbon materials play an important role in nanomaterials. We propose a new carbon monolayer, named hexagonal-4,4,4-graphyne (H4,4,4-graphyne), which is a nanoporous structure composed of rectangular carbon rings and…
We study a versatile structurally favorable periodic $sp^2$-bonded carbon atomic planar sheet with $C_{4v}$ symmetry by means of the first-principles calculations. This carbon allotrope is composed of carbon octagons and squares with two…
The band structure of ABC-stacked N-layer graphene comprises topologically corresponding flat surface and gapped bulk subbands, as a consequence of the unique stacking configuration. In this paper, the bulk subbands are for the first times…
Topological nodal-line semimetals exhibit double or fourfold degenerate nodal lines, which are protected by symmetries. Here, we investigate the possibility of the existence of triply degenerate nodal lines in metals. We present two types…
The topological physics has been extensively studied in different kinds of bosonic and fermionic systems, ranging from artificial structures to natural materials. However, the coexistence of topological phonon and electron in one single…
Using evolutionary algorithm for crystal structure prediction, we present a new stable two-dimensional (2D) carbon allotrope composed of polymerized as-indacenes (PAI) in a zigzag pattern, namely PAI-graphene whose energy is lower than most…
Nodal lines are one-dimensional topological features of semi-metal band structures along which two bands are degenerate as a result of non-accidental symmetry-protected crossings, and behave topologically as $k$-space vortices in the Berry…
We propose that CaP3 family of materials, which include CaP3, CaAs3, SrP3, SrAs3 and BaAs3 can host a three-dimensional topological nodal line semimetal states. Based on first-principle calculations and kp model analysis, we show that a…
Observation of topological phases beyond two-dimension (2D) has been an open challenge for ultracold atoms. Here, we realize for the first time a 3D spin-orbit coupled nodal-line semimetal in an optical lattice and observe the bulk line…
Graphene is a promising material for the development of applications in nanoelectronic devices, but the lack of a band gap necessitates the search for ways to tune its electronic properties. In addition to doping, defects, and nanoribbons,…
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…
Electron doped rhombohedral multilayer graphene at high displacement field features an exceptionally flat band minimum with near-ideal quantum geometry. Experiments in this regime observe the formation of a 'quarter metal,' in which the…
Topological metal/semimetals (TMs) have emerged as a new frontier in the field of quantum materials. A few two-dimensional (2D) boron sheets have been suggested as Dirac materials, however, to date TMs made of three-dimensional (3D) boron…