相关论文: New magnetic topological materials from high-throu…
We use the first principles and effective Hamiltonian methods to study the electronic structure and magnetic properties of a recently synthesized layered antiferromagnetic square net topological semimetal EuZnSb$_2$ [1]. The main message of…
As the development of topological band theory, comprehensive databases about time reversal and crystalline symmetries protected nonmagnetic topological materials were developed via first-principles calculations recently. However, owing to…
Ternary semiconducting or metallic half-Heusler compounds with an atomic composition 1:1:1 are widely studied for their flexible electronic properties and functionalities. Recently, a new material property of half-Heusler compounds was…
Using both an effective three-band model and {\it ab initio} calculations, we have investigated various topological features in the cubic ferromagnetic $5d^{1,2}$ systems showing large spin-orbit coupling (SOC): Ba$_2$NaOsO$_6$,…
There has been considerable interest in topological semi-metals that exhibit extreme magnetoresistance (XMR). These have included materials lacking inversion symmetry such as TaAs, as well Dirac semi-metals such as Cd3As2. However, it was…
The discovery of topological insulator phase has ignited massive research interests in novel quantum materials. Topological insulators with superconductivity further invigorate the importance of materials providing the platform to study the…
Quantum materials with stacked van der Waals (vdW) layers hosting non-trivial band structure topology and magnetism have shown many interesting properties. Using high throughput density functional theory calculations, we design and predict…
Topological insulators [1-6] is a new quantum phase of matter with exotic properties such as dissipationless transport and protection against Anderson localization [7]. These new states of quantum matter could be one of the missing links…
Designing two-dimensional (2D) materials with magnetic and topological properties has continuously attracted intense interest in fundamental science and potential applications. Here, on the basis of first-principles calculations, we predict…
The magnetic susceptibility and magnetization of two new layered S=1/2 Heisenberg antiferromagnets with moderate exchange are reported. The two isostructural compounds, (2-amino-5-chloropyridinium)2CuBr4 ((5CAP)2CuBr4) and…
Magnetic topological semimetals, a novel state of quantum matter with nontrivial band topology, have emerged as a new frontier in physics and materials science. An external stimulus like temperature or magnetic field could be expected to…
Half-Heuslers are a promising family for thermoelectric (TE) applications, yet only a small fraction of their potential chemistries has been experimentally explored. In this work, we introduce a distinct computational high-throughput…
Magnetic topological quantum materials have attracted great attention due to their exotic topological quantum physics induced by the interplay among crystalology, magnetism, and topology, which is of profound importance to fundamental…
Topological metal/semimetals (TMs) have emerged as a new frontier in the field of quantum materials. A few two-dimensional (2D) boron sheets have been suggested as Dirac materials, however, to date TMs made of three-dimensional (3D) boron…
The discovery of superconductivity in 3$d$-transition metal compounds with strong magnetism is interesting but rare. Especially for Mn-based compounds, there exist only very limited materials that show superconductivity. Here, we report the…
Nodal-line semimetals are topologically non-trivial states of matter featuring band crossings along a closed curve, i.e. nodal-line, in momentum space. Through a detailed analysis of the electronic structure, we show for the first time that…
Superconducting topological materials have generated considerable interest in condensed matter research due to their unusual gap structures and topological properties. In this study, we have investigated the normal and superconducting…
We present a high throughput computational search for altermagnetism in two-dimensional (2D) materials based on the Computational 2D Materials Database (C2DB). We start by showing that the symmetry requirements for altermagnetism in 2D are…
We report superconductivity at $T_c = 1.22$ K and magnetic order at $T_N = 1.06$ K in the semi-metallic noncentrosymmetric Half Heusler compound ErPdBi. The upper critical field, $B_{c2}$, has an unusual quasi-linear temperature variation…
Antiferromagnetic (AFM) semiconductor MnS$_2$ possesses both high-spin and low-spin magnetic phases that can be reversibly switched by applying pressure. With increasing pressure, the high-spin state undergoes pressure-induced metalization…