相关论文: PY-Nodes: An ab-initio python code for searching n…
A two-dimensional (2D) topological semimetal is characterized by the nodal points in its low-energy band structure. While the linear nodal points have been extensively studied, especially in the context of graphene, the realm beyond linear…
Advanced transition elements are of utmost importance in many applications of the finite element method (FEM) where a local mesh refinement is required. Considering problems that exhibit singularities in the solution, an adaptive…
We study a class of topological materials which in their momentum-space band structure exhibit three-fold degeneracies known as triple points. Focusing specifically on $\mathcal{P}\mathcal{T}$-symmetric crystalline solids with negligible…
In this work, we investigate the emergence of Weyl points in an inversion symmetry-breaking 1T-NiTe$_2$ system. Through first-principles calculations based on the density functional theory combined with tight-binding methods, we find three…
The chain-type nodal loops in the reciprocal space can generate exotic nodal chain fermions. Here, we report that Li2XY (X = Ca, Ba; Y = Si, Ge) compounds are ideal inner nodal chain semimetals. Their band structures are composed of two…
Triply degenerate band crossing can generate novel triply degenerate nodal point (TDNP) fermions. For the TDNP character to the best manifest in physical properties, it desires that the TDNPs are near the Fermi level, far away with each…
We construct a tight-binding model realizing one pair of Weyl nodes and three distinct Weyl semimetals. In the type-I (type-II) Weyl semimetal, both nodes belong to type-I (type-II) Weyl nodes. In addition, there exists a novel type, dubbed…
Magnetic topological semimetals (TSMs) are topological quantum materials with broken time-reversal symmetry (TRS) and isolated nodal points or lines near the Fermi level. Their topological properties would typically reveal from the…
The development and implementation of the methods for designing amorphous metal alloys with desired mechanical properties is one of the most promising areas of modern materials science. Here, the machine learning methods appear to be a…
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…
In materials discovery, the integration of first-principles calculations with machine learning techniques has been actively studied for two key tasks: crystal structure prediction, which searches for stable structures given a chemical…
Topological Dirac semimetals with accidental band touching between conduction and valence bands protected by time reversal and inversion symmetry are at the frontier of modern condensed matter research. Theoretically one can get Weyl and/or…
We investigate the thermoelectric (TE) properties of nodal line semimetals (NLSs) using a combination of semi-analytical calculations within Boltzmann's linear transport theory and the relaxation time approximation, along with…
Tantalum arsenide is a member of the non-centrosymmetric monopnictides, which are putative Weyl semimetals. In these materials, three-dimensional chiral massless quasiparticles, the so-called Weyl fermions, are predicted to induce novel…
Recently discovered Weyl semimetals (WSM) have found special place in topological condensed matter studies for they represent first example of massless Weyl fermions found in condensed matter systems. A WSM shows gapless bulk energy spectra…
ZrSiS is the most intensively studied topological nodal-line semimetal candidate, which is proposed to host multiple nodal lines in its bulk electronic structure. However, previous angle-resolved photoemission spectroscopy (ARPES)…
Three-dimensional (3D) topological Weyl semimetals (TWSs) represent a novel state of quantum matter with unusual electronic structures that resemble both a "3D graphene" and a topological insulator by possessing pairs of Weyl points…
Triply degenerate points (TDPs) in band structure of a crystal can generate novel TDP fermions without high-energy counterparts. Although identifying ideal TDP semimetals, which host clean TDP fermions around the Fermi level ($E_F$) without…
Topological semimetals, such as the Weyl and Dirac semimetals, represent one of the most active research fields in modern condensed matter physics. The peculiar physical properties of these systems mainly originate from their underlying…
Topological nodal-line semimetals are characterized by one-dimensional lines of band crossing in the Brillouin zone. In contrast to nodal points, nodal lines can be in topologically nontrivial configurations. In this paper, we study the…