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Graphene, a two dimensional (2D) carbon sheet, acquires many of its amazing properties from the Dirac point nature of its electronic structures with negligible spin-orbit coupling. Extending to 3D space, graphene networks with negative…
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…
Graphene is known as a two-dimensional Dirac semimetal, in which electron states are described by the Dirac equation of relativistic quantum mechanics. Three-dimensional analogues of graphene are characterized by Dirac points or lines in…
Graphene as a two-dimensional (2D) topological Dirac semimetal has attracted much attention for its outstanding properties and potential applications. However, three-dimensional (3D) topological semimetals for carbon materials are still…
The three dimensional (3D) Dirac semimetal, which has been predicted theoretically, is a new electronic state of matter. It can be viewed as 3D generalization of graphene, with a unique electronic structure in which conduction and valence…
We study the electronic band structure of three-dimensional ABC-stacked (rhombohedral) graphdiyne, which is a new planar carbon allotrope recently fabricated. Using the first-principles calculation, we show that the system is a nodal-line…
Experimental identification of three-dimensional (3D) Dirac semimetals in solid state systems is critical for realizing exotic topological phenomena and quantum transport such as the Weyl phases, high temperature linear quantum…
The discovery of topological semimetal phase in three-dimensional (3D) systems is a new breakthrough in topological material research. Dirac nodal-line semimetal is one of the three topological semimetal phases discovered so far; it is…
Two-dimensional (2D) materials, composed of single atomic layers, have attracted vast research interest since the breakthrough discovery of graphene. One major benefit of such systems is the simple ability to tune the chemical potential by…
Carbon nitride compounds have emerged recently as a prominent member of 2D materials beyond graphene. The experimental realizations of 2D graphitic carbon nitride g-C$_3$N$_4$, nitrogenated holey grahpene C$_2$N, polyaniline C$_3$N have…
Two-dimensional (2D) magnetic materials integrated with graphene offer a compelling platform for next-generation spintronic devices, yet nickel in its 2D form remains largely unexplored, due to fundamental synthesis limitations. Here, we…
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…
The interface between two-dimensional (2D) crystals often forms a Moire superstructure that imposes a new periodicity, which is a key element in realizing complex electronic phases as evidenced in twisted bilayer graphene. A combined angle…
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…
Three-dimensional (3D) topological Dirac semimetals (TDSs) represent a novel state of quantum matter that can be viewed as '3D graphene'. In contrast to two-dimensional (2D) Dirac fermions in graphene or on the surface of 3D topological…
Due to the flexibility of C and N atoms in forming different types of bonds, the prediction of new two-dimensional (2D) carbon nitrides is a hot topic in the field of carbon-based materials. Using first-principles calculations, we propose…
Single-crystal carbon nanomaterials have led to great advances in nanotechnology. The first single-crystal carbon nanomaterial, fullerene, was fabricated in a zero-dimensional form. One-dimensional carbon nanotubes and two-dimensional…
A three-dimensional (3D) Dirac semimetal is the 3D analog of graphene whose bulk band shows a linear dispersion relation in the 3D momentum space. Since each Dirac point with four-fold degeneracy carries a zero Chern number, a Dirac…
Nontrivial topology of Dirac (DSMs), Weyl (WSMs) and nodal line semimetals (NLSMs) are delineated by the novel band crossings near the Fermi level in the bulk and the appearance of exotic surface states. Among them, nodal line semimetals…
The three-dimensional (3D) topological Dirac semimetal is a new topological phase of matter, viewed as the 3D analogy of graphene with a linear dispersion in the 3D momentum space. Here, we report the angular dependent magnetotransport in…