Related papers: Topological states and topological phase transitio…
The search of multiple topological phases (TPs) and their transitions by tuning different parameters through chemical substitutions, electric field, magnetic field, strain and Floquet engineering, etc has garnered a widespread attention in…
The exploration of topological phase transition (TPT) mechanisms constitutes a central theme in quantum materials research. Conventionally, transitions between Weyl semimetals (WSMs) and other topological states rely on the breaking of…
By first-principles calculations, we find that Ba2X(X=Si, Ge) hosts a topological semimetal phase with one nodal ring in the kx=0 plane, which is protected by the glide mirror symmetry when spin-orbit coupling (SOC) is ignored. The…
Based on the first-principles calculations, we theoretically propose topologically non-trivial states in a recently experimentally discovered superconducting material CaSn$_3$. When the spin-orbit coupling (SOC) is ignored, the material is…
The spin-orbit coupling (SOC) lifts the band degeneracy that plays a vital role in the search for different topological states, such as topological insulators (TIs) and topological semimetals (TSMs). In TSMs, the SOC can partially gap a…
Topological Weyl semimetals (TWSs) are exotic crystals possessing emergent relativistic Weyl fermions connected by unique surface Fermi-arcs (SFAs) in their electronic structures. To realize the TWS state, certain symmetry (such as the…
Several topological electronic materials have been theoretically predicted, leading to a comprehensive catalog systematically characterized by their band crossings. Researchers have attempted to experimentally verify the topological nature…
Based on the first-principles calculations and theoretical analysis, we investigate the electronic structures, topological phase transition (TPT) and topological properties of layered magnetic compound MnSb2Te4. It has the similar crystal…
In the search for stable topological semimetals with clean band profiles, we have screened all the 3$d$ metal-intercalated transition-metal dichalcogenides (3dI-TMDCs) by performing hybrid-functional-based ab initio calculations. Two…
Topological insulators (TI) are a phase of matter that host unusual metallic states on their surfaces. Unlike the states that exist on the surface of conventional materials, these so-called topological surfaces states (TSS) are protected…
We present a study of "nodal semimetal" phases, in which non-degenerate conduction and valence bands touch at points (the "Weyl semimetal") or lines (the "line node semimetal") in three-dimensional momentum space. We discuss a general…
Magnetic topological systems based on MnBi2Te4 have recently attracted significant attention due to their rich interplay between magnetism and topological electronic states. In this work, using density functional theory (DFT), we…
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 reveal a class of three-dimensional $d$-orbital topological materials in the antifluorite Cu$_2$S family. Derived from the unique properties of low-energy $t_{2g}$ states, their phases are solely determined by the sign of spin-orbit…
Topological semimetals are three dimensional materials with symmetry-protected massless bulk excitations. As a special case, Weyl nodal-line semimetals are realized in materials either having no inversion or broken time-reversal symmetry…
We study a general phase transition between spinless topological nodal-line semimetal and Weyl semimetal phases. We classify topological nodal lines into two types based on their positions and shapes, and their phase transitions depends on…
Topological materials host fascinating low dimensional gapless states at the boundary. As a prominent example, helical topological edge states (TESs) of two-dimensional topological insulators (2DTIs) and their stacked three-dimensional (3D)…
Topological insulators (TIs) are bulk insulators with exotic 'topologically protected' surface conducting modes. It has recently been pointed out that when stacked together, interactions between surface modes can induce diverse phases…
Recent experimental realizations of the topological semimetal states in several monolayer systems are very attractive because of their exotic quantum phenomena and technological applications. Based on first-principles density-functional…
Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered…