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Nonsymmorphic space group symmetries can generate exotic band-crossings in topological metals and semimetals. Here, based on symmetry analysis and first-principles calculations, we reveal rich band-crossing features in the existing layered…
The electronic and topological properties of single-layer X3YZ6 (X=Nb,Ta, Y=Si,Ge,Sn, Z=S,Se,Te) materials have been studied with the aid of first principles calculations. This kind of materials belong to topological semimetals (TMs) with…
We consider three-dimensional fermionic band theories that exhibit Weyl nodal surfaces defined as two-band degeneracies that form closed surfaces in the Brillouin zone. We demonstrate that topology ensures robustness of these objects under…
Using first--principles density functional calculations, we systematically investigate electronic structures and topological properties of InNbX2 (X=S, Se). In the absence of spin--orbit coupling (SOC), both compounds show nodal lines…
Owing to the natural compatibility with current semiconductor industry, silicon allotropes with diverse structural and electronic properties provide promising platforms for the next-generation Si-based devices. After screening 230…
Crystallographic symmetries enforcing band touchings (BTs) in the Brillouin zone (BZ) have been utilized to classify and predict the topological semimetals. Though the early proposed topological semimetals contain isolated nodal points in…
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…
Two-dimensional (2D) materials with nodal-loop band crossing have been attracting great research interest. However, it remains a challenge to find 2D nodal loops that are robust against spin-orbit coupling (SOC) and realized in magnetic…
The emergent higher-order topological insulators significantly deepen our understanding of topological physics. Recently, the study has been extended to topological semimetals featuring gapless bulk band nodes. To date, higherorder nodal…
Topological semimetals exhibit band crossings near the Fermi energy, which are protected by the nontrivial topological character of the wave functions. In many cases, these topological band degeneracies give rise to exotic surface states…
Topological semimetal states which are constrained by symmetries and give birth to innovative excitations are the frontiers of topological quantum matter. Nodal chains in which two nodal rings connect at one point were first discovered in…
We perform a complete classification of two-band $\bk\cdot\mathbf{p}$ theories at band crossing points in 3D semimetals with $n$-fold rotation symmetry and broken time-reversal symmetry. Using this classification, we show the existence of…
We study three-dimensional nodal line semimetals (NLSMs) with magnetic ordering and strong spin-orbit interaction. Two distinct classes of magnetic NLSMs are proposed. The first class is band-inversion NLSM where the accidental line node is…
Symmetry-protected topological semimetals are at the focus of solid-state research due to their unconventional properties, for example, regarding transport. By investigating local two-band Bloch Hamiltonians in the spin-1/2 basis for the…
Nodal-point and Nodal-line structures in the dispersion of electron energy bands are characterized by their high degeneracy in certain corners or lines in the Brillouin zone (BZ). These nodal structures can also exist in the dispersion of…
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…
Numerous efforts have been devoted to reveal exotic semimetallic phases with topologically non-trivial bulk and/or surface states in materials with strong spin-orbit coupling. In particular, semimetals with nodal line Fermi surface (FS)…
Recent interest in point and line node semimetals has led to the proposal and discovery of these phenomena in numerous systems. Frequently, though, these nodal systems are described in terms of individual properties reliant on specific…
We propose that the topological semimetal features can co-exist with ferromagnetic ground state in vanadium-phosphorous-oxide $\beta$-V$_2$OPO$_4$ compound from first-principles calculations. In this magnetic system with inversion symmetry,…
Dirac nodal line semimetals (DNLSs) host relativistic quasiparticles in their one-dimensional (1D) Dirac nodal line (DNL) bands that are protected by certain crystalline symmetries. Their novel low-energy fermion quasiparticle excitations…