相关论文: Topological Materials Discovery using Electron Fil…

In this paper, we introduce a density-based topology optimization framework to design porous electrodes for maximum energy storage. We simulate the full cell with a model that incorporates electronic potential, ionic potential, and…

Topological semimetals in ferromagnetic materials have attracted enormous attention due to the potential applications in spintronics. Using the first-principles density functional theory together with an effective lattice model, here we…

Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new…

We have screened 71 two-dimensional (2D) materials with $C_3$ symmetry for non-trivial second order topological order and find that 28 compounds exhibit an obstructed atomic limit (OAL). In the case of $C_3$ symmetry, the second order…

In an ordinary three-dimensional metal the Fermi surface forms a two-dimensional closed sheet separating the filled from the empty states. Topological semimetals, on the other hand, can exhibit protected one-dimensional Fermi lines or…

To realize novel topological phases and to pursue potential applications in low-energy consumption spintronics, the study of magnetic topological materials is of great interest. Starting from the theory of nonmagnetic topological quantum…

Weak topological insulators and Dirac semimetals are gapped and nodal phases with distinct topological properties, respectively. Here, we propose a novel topological phase that exhibits features of both and is dubbed composite Dirac…

An antiferromagnetic semimetal has been recently identified as a new member of topological semimetals that may host three-dimensional symmetry-protected Dirac fermions. A reorientation of the N\'{e}el vector may break the underlying…

As a new type of quantum matter, Dirac node line (DNL) semimetals are currently attracting widespread interest in condensed matter physics and material science. The DNL featured by a closed line consisting of linear band crossings in the…

Crystalline semimetals with certain space group symmetries may possess unusual electronic structure topology, distinct from the conventional Weyl and Dirac semimetals. Characteristic property of these materials is the existence of…

Two-dimensional (2D) materials may exhibit intriguing band structure features (e.g., Dirac points), that lay far away from the Fermi level. They are, thus, not usable in applications. The semiconducting 2D material PC6 has two Dirac cones…

The past decade's apparent success in predicting and experimentally discovering distinct classes of topological insulators (TIs) and semimetals masks a fundamental shortcoming: out of 200,000 stoichiometric compounds extant in material…

Magnetic topological materials, in which the time-reversal symmetry is broken, host various exotic quantum phenomena, including the quantum anomalous Hall effect, axion insulator states, and Majorana fermions. The study of magnetic…

Among the quantum materials that gained interest recently are the topological Dirac/Weyl semimetals, where conduction and valence bands touch at points in reciprocal (k)-space, and the Dirac nodal-line semimetals, where these bands touch…

Trove of exotic topoloid structures has recently been predicted by searching for compounds whose calculated band structure crossing points fulfill specific symmetry requirements. Discovery of exciting physical phenomena by experimental…

At partial filling of a flat band, strong electronic interactions may favor gapped states harboring emergent topology with quantized Hall conductivity. Emergent topological states have been found in partially filled Landau levels and…

Engineered $Na_{0.75}CoO_2$ is considered a prime candidate to achieve high-efficiency thermoelectric systems to regenerate electricity from waste heat. In this work, three elements with outmost electronic configurations, (1) an open d…

The discovery of intrinsic magnetic topological order in $\rm MnBi_2Te_4$ has invigorated the search for materials with coexisting magnetic and topological phases. These multi-order quantum materials are expected to exhibit new topological…

Among topological materials, nodal loop semimetals (NLSMs) are arguably the most topologically sophisticated, with their valence and conduction bands intersecting along arbitrarily intertwined nodes. But unlike the well-known topological…

Topological phases of matter have established a new paradigm in physics, bringing quantum phenomena to the macroscopic scale and hosting exotic emergent quasiparticles. In this thesis, I theoretically and experimentally demonstrate with my…