相关论文: Topological Critical Materials of Ternary Compound…

We theoretically propose that hexagonal silicon-based crystals, $P6/m$-Si$_6$ and $P6/m$-NaSi$_6$, are topological Dirac semimetals with superconducting critical temperatures of 12 K and 13 K, respectively, at ambient pressure. Band…

Rare-earth magnets with parent cubic symmetry exhibit unique topological properties. However, the origin of these behaviors remains presently unclear. Here, we develop minimal models for Dirac semimetals (DSMs) with accidental band…

A Z2 topological insulator protected by time-reversal symmetry is realized via spin-orbit interaction driven band inversion. For example, the topological phase in the Bi-Sb system is due to an odd number of band inversions. A related…

Here we report the synthesis and superconductivity of a novel ternary compound LaPd2Bi2. Shiny plate-like single crystals of LaPd2Bi2 were first synthesized by high-temperature solution method with PdBi flux. X-ray diffraction analysis…

Topological band insulators (TBIs) are bulk insulating materials which feature topologically protected metallic states on their boundary. The existing classification departs from time-reversal symmetry, but the role of the crystal lattice…

Magnetic topological insulators such as Cr-doped (Bi,Sb)2Te3 provide a platform for the realization of versatile time-reversal symmetry-breaking physics. By constructing heterostructures with N\'eel order in an antiferromagnetic CrSb and…

Two-dimensional ternary locally resonant phononic crystals used to consist of cylindrical scatterers with uniform coatings in their exterior. An alternative coating scheme with a comblike profile is proposed and investigated in this letter.…

We present a theory of the high-spin generalization of topological insulators and their doped superconducting states. The higher-spin topological insulators involve a pair of $J=3/2$ bands with opposite parity, and are characterized by…

The impact of surface morphology on electronic structure of topological crystalline insulators is studied theoretically. As an example, the structure of topologically protected electronic states on a (001) (Pb,Sn)Se surface with terraces of…

First-principles calculations are performed to study the electronic structures and topological phases of magnetic layered materials MnBi2Te4, MnBi2Se4 and MnSb2Te4 under different film thicknesses, strains and spin-orbit coupling (SOC)…

Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. We report the results of ab initio LDA/GGA computations for the following systems: AgAu, AgCd, AgMg, AgMo*, AgNa,…

Topological phases of matter have been extensively studied for their intriguing bulk and edge properties. Recently, higher-order topological insulators with boundary states that are two or more dimensions lower than the bulk states, have…

The interplay between topology and crystalline symmetries in materials can lead to a variety of topological crystalline insulator (TCI) states. Despite significant effort towards their experimental realization, so far only…

Based on the first-principles calculations and experimental measurements, we report that the hexagonal phase of ternary transition metal pnictides TT'X (T=Zr, Hf; T'=Ru; X=P, As), which are well-known noncentrosymmetric superconductors with…

The topological surface states of mercury telluride (HgTe) are studied by ab initio calculations assuming different strains and surface terminations. For the Te-terminated surface, a single Dirac cone exists at the $\Gamma$ point. The Dirac…

Recent years have seen the discovery of systems featuring fragile topological states. These states of matter lack certain protection attributes typically associated with topology and are therefore characterized by weaker signatures that…

Heterostructures of stacked two-dimensional lattices have shown great promise for engineering novel material properties. As an archetypal example of such a system, the hexagon-shared honeycomb-kagome lattice has been experimentally…

The recent discovery of antiferromagnetic (AFM) topological insulator (TI) MnBi$_2$Te$_4$ has triggered great research efforts on exploring novel magnetic topological physics. Based on first-principles calculations, we find that the…

We explore the topological behavior of the binary Zintl phase of the alkaline earth metals based compounds Sr$_2$Pb and Sr$_2$Sn using both standard and hybrid density functional theory. It is found that Sr$_2$Pb lies on the verge of a…

Layered kagome-lattice materials with 3$d$ transition metals provide a fertile playground for studies on geometry frustration, band topology and other novel ordered states. A representative class of materials AV$_3$Sb$_5$ (A=K, Rb, Cs) have…