相关论文: Topological Materials Discovery using Electron Fil…

The discovery of topological semimetal phase in three-dimensional (3D) systems is a new breakthrough in topological material research. Dirac nodal-line semimetal is one of the three topological semimetal phases discovered so far; it is…

We propose and characterize a new $\mathbb{Z}_2$ class of topological semimetals with a vanishing spin--orbit interaction. The proposed topological semimetals are characterized by the presence of bulk one-dimensional (1D) Dirac Line Nodes…

In recent years, the exotic properties of topological semimetals (TSMs) have attracted great attention and significant efforts have been made in seeking for new topological phases and material realization. In this work, we propose a new…

Compared to time-reversal symmetry-protected Z2 topological insulators and Dirac/Weyl semimetals, there are significantly fewer candidates for topological crystalline insulators. SrAg4Sb2 is predicted to exhibit topological crystalline…

Topological metals and semimetals are new states of matter which attract great interest in current research. Here, based on first-principles calculations and symmetry analysis, we propose that the family of titanium-based compounds Ti3X…

Topological metals are special conducting materials with gapless band structures and nontrivial edge-localized resonances, whose discovery has proved elusive because the traditional topological classification methods do not apply in this…

Single crystal and polycrystalline samples of MoP$_4$ with a black-phosphorus-derived structure have been successfully synthesized by a high-pressure technique. The polycrystalline samples show a large positive magnetoresistance and a small…

Topological nodal line (DNL) semimetals, formed by a closed loop of the inverted bands in the bulk, result in the nearly flat drumhead-like surface states with a high electronic density near the Fermi level. The high catalytic active sites…

We have given a summary on our theoretical predictions of three kinds of topological semimetals (TSMs), namely, Dirac semimetal (DSM), Weyl semimetal (WSM) and Node-Line Semimetal (NLSM). TSMs are new states of quantum matters, which are…

Electrides are a unique class of electron-rich materials where excess electrons are localized in interstitial lattice sites as anions, leading to a range of unique properties and applications. While hundreds of electrides have been…

Insulating states can be topologically nontrivial, a well-established notion that is exemplified by the quantum Hall effect and topological insulators. By contrast, topological metals have not been experimentally evidenced until recently.…

Nodal-line semimetals, one of the topological semimetals, have degeneracy along nodal lines where the band gap is closed. In many cases, the nodal lines appear accidentally, and in such cases it is impossible to determine whether the nodal…

Topological nodal superconductors possess gapless low energy excitations that are characterized by point or line nodal Fermi surfaces. In this work, using a coupled wire construction, we study topological nodal superconductors that have…

The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…

The symbiosis of strong interactions, flat bands, topology and symmetry has led to the discovery of exotic phases of matter, including fractional Chern insulators, correlated moir\'e topological superconductors, and Dirac and Weyl…

2D topological insulators promise novel approaches towards electronic, spintronic, and quantum device applications. This is owing to unique features of their electronic band structure, in which bulk-boundary correspondences enforces the…

For a material that is a half-metal, there should exist a range of compositions for half-metallicity. This compositional range can be expressed in terms of electron count and computed. We investigate electronic and magnetic properties of…

The band theory of solids is arguably the most successful theory of condensed matter physics, providing the description of the electronic energy levels in a variety of materials. Electronic wavefunctions obtained from the band theory allow…

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 quantum materials hold great promise for future technological applications. Their unique electronic properties, such as protected surface states and exotic quasiparticles, offer opportunities for designing novel electronic…