Related papers: Semimetallic Two-Dimensional Boron Allotrope with …
Silicene, the two-dimensional allotrope of silicon, is predicted to exist in a low-buckled honeycomb lattice, characterized by semimetallic electronic bands with graphenelike energy-momentum dispersions around the Fermi level (represented…
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 configurations, stability and electronic structures of a new class of boron sheet and related boron nanotubes are predicted within the framework of density functional theory. This boron sheet is sparser than those of recent proposals.…
Two-dimensional (2D) massless Dirac fermions (MDF), which represent a type of quasi-particles with linear energy-momentum dispersions only in 2D momentum space, provide a fertile ground for realizing novel quantum phenomena. However, 2D MDF…
Two-dimensional systems have strengthened their position as one of the key materials for novel applications. Very recently, boron joined the distinguished group of elements that are confirmed to possess 2D allotropes, named borophenes. In…
Density functional theory with local density approximation for exchange and correlation functional is used to tune the electronic band structure of silicene monolayer. The cohesive energy of free standing monolayer is increasing…
We report a new, cleavable, strong-topological-metal, Zr2Te2P, which has the same tetradymite-type crystal structure as the topological insulator Bi2Te2Se. Instead of being a semiconductor, however, Zr2Te2P is metallic with a pseudogap…
In this work, we employ density functional theory (DFT) to explore the structure of boron clusters doped with two aluminium atoms (B$_7$Al$_2$ or Al$_2$B$_7$). The results show that the most stable structure is a bipyramidal configuration…
Cadmium arsenide (Cd3As2) - a time-honored and widely explored material in solid-state physics - has recently attracted considerable attention. This was triggered by a theoretical prediction concerning the presence of 3D symmetry-protected…
Topological semimetals with several types of three-dimensional (3D) fermion of electrons, such as Dirac fermions, Weyl fermions, Dirac nodal lines and triply degenerate nodal points have been theoretically predicted and then experimentally…
Topological Dirac semimetal is a newly discovered class of materials and has attracted intense attentions. This material can be viewed as a three-dimensional (3D) analogue of graphene and has linear energy dispersion in bulk, leading to a…
A pair of Dirac points (analogous to a vortex-antivortex pair) associated with opposite topological numbers (with $\pm\pi$ Berry phases) can be merged together through parameter tuning and annihilated to gap the Dirac spectrum, offering a…
The effect of external static charging on borophenes - 2D boron crystals - is investigated by using first principles calculations. The influence of the excess negative charge on the stability of the 2D structures is examined using a very…
SrMnSb$_2$ is suggested to be a magnetic topological semimetal. It contains square, 2D Sb planes with non-symmorphic crystal symmetries that could protect band crossings, offering the possibility of a quasi-2D, robust Dirac semi-metal in…
Theoretical evidence of the existence of 12 inequivalent Dirac cones at the vicinity of the Fermi energy in monolayered ZrB$_2$ is presented. Two-dimensional ZrB$_2$ is a mechanically stable d- and p-orbital compound exhibiting a unique…
Graphene, as a promising material of post-silicon electronics, opens a new paradigm for the novel electronic properties and device applications. On the other hand, the 2D feature of graphene makes it technically challenging to be integrated…
Emergent Dirac fermions provide the starting point to understanding the plethora of novel condensed matter phases. The nature of the associated phases and phase transitions crucially depends on both the emergent symmetries as well as the…
This study is devoted to the profound implications of tilted Dirac cones on the quantum transport properties of two-dimensional (2D) Dirac materials. These materials, characterized by their linear conic energy dispersions in the vicinity of…
This paper presents a systematic study of two and one dimensional honeycomb structure of boron nitride (BN) using first-principles plane wave method. Two-dimensional (2D) graphene like BN is a wide band gap semiconductor with ionic bonding.…
Carbon's versatility allows it to form diverse structures with unique properties, driven by its moderate electronegativity, small ionic radius, and ability to adopt \textit{sp}, \textit{sp\textsuperscript{2}}, and…