Related papers: Three-dimensional Pentagon Carbon with a genesis o…
Carbon allotropes such as diamond, nano-tube, Fullerene, and Graphene, have unique lattice symmetries of crystal lattice, but these are topologically trivial. We have proposed a topologically-nontrivial allotrope, named Hopfene, which has…
Unconventional fermions, such as three-fold, four-fold, six-fold, and eight-fold fermions have attracted intense attention in recent years. However, the concrete materials hosting unconventional fermions are still in urgent scarcity. In…
The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model…
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…
In this work, We combined fully atomistic molecular dynamics and finite elements simulations with mechanical testings to investigate the mechanical behavior of atomic and 3D-printed models of pentadiamond. Pentadiamond is a recently…
Carbon, a basic versatile element in our universe, exhibits rich varieties of allotropic phases, most of which possess promising nontrivial topological fermions. In this work, we identify a distinct topological phonon phase in a realistic…
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…
We present a comprehensive first-principles investigation of a novel carbon allotrope characterized by quasi-tetragonal atomic motifs and quasi-two-dimensional structural behavior. Structural analysis reveals an open framework composed of…
Strongly interacting fermions represent the key constituent of several intriguing phases of matter. However, due to the inherent complexity of these systems, important regimes are still inaccessible. Here, we derive a realistic and flexible…
We performed an extensive first-principles study of nanowires in various pentagonal structures by using pseudopotential plane wave method within the density functional theory. Our results show that nanowires of different types of elements,…
Most electronic properties of metals are determined solely by the low-energy states around the Fermi level, and for topological metals/semimetals, these low-energy states become distinct because of their unusual energy dispersion and…
Recently, a new two-dimensional carbon allotrope called pentagraphene (PG) was proposed. PG exhibits mechanical and electronic interesting properties, including typical band gap values of semiconducting materials. PG has a Cairo-tiling-like…
We present a comprehensive first-principles investigation of three novel two-dimensional carbon allotropes: alpha-, beta-, and gamma-TODD-Graphene (TODD-G), composed of 3-8-12-16, 3-8-12-16, and 3-4-8-12 interconnected carbon rings with…
The concept of topological fermions, including Weyl and Dirac fermions, stems from the quantum Hall state induced by a magnetic field, but the definitions and classifications of topological fermions are formulated without using magnetic…
The advent of graphene has renewed the interest in other 2D carbon-based materials. Bhattacharya and Jana have proposed a new carbon allotrope, composed of different polygonal carbon rings containing 4, 5, 6, and 10 atoms, named…
The thriving area of synthetic carbon allotropes witnesses theoretic proposals and experimental syntheses of many new two-dimensional ultrathin structures, which are often achieved by careful arrangement of non-hexagon $\mathrm{sp^2}$…
Semimetals, in which conduction and valence bands touch but do not form Fermi surfaces, have attracted considerable interest for their anomalous properties starting with the discovery of Dirac matter in graphene and other two-dimensional…
Topological magnons are emergent quantum spin excitations featured by magnon bands crossing linearly at the points dubbed nodes, analogous to fermions in topological electronic systems. Experimental realization of topological magnons in…
Topologically protected fermionic quasiparticles appear in metals, where band degeneracies occur at the Fermi level, dictated by the band structure topology. While in some metals these quasiparticles are direct analogues of elementary…
Multi-band touchings such as 3-band, 6-band and 8-band touchings together with the emergence of high pseudospin fermions were predicted recently at high-symmetry points in three-dimensional space. In this paper, we propose a simple cubic…