相关论文: Computational study of heavy group IV elements (Ge…
Large-gap quantum spin Hall insulators are promising materials for room-temperature applications based on Dirac fermions. Key to engineer the topologically non-trivial band ordering and sizable band gaps is strong spin-orbit interaction.…
Using first--principles density functional calculations, we systematically investigate electronic structures and topological properties of InNbX2 (X=S, Se). In the absence of spin--orbit coupling (SOC), both compounds show nodal lines…
Topological features of possible three-dimensional (3D) states in \alpha-type layered organic conductors are investigated within a unified framework based on Wannier charge centers (WCCs), aiming to identify their actual topological states.…
Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…
Geometrically frustrated triangular-lattice magnets provide fertile ground for realizing intriguing quantum phases such as spin supersolids. A common expectation is that spin-orbit coupling (SOC), which breaks continuous spin rotational…
Due to fundamental interest and potential applications in quantum computation, tremendous efforts have been invested to study topological superconductivity. However, bulk topological superconductivity seems to be difficult to realize and…
The diamond and zinc-blende semiconductors are well-known and have been widely studied for decades. Yet, their electronic structure still surprises with unexpected topological properties of the valence bands. In this joint theoretical and…
Neutral silicon-carbon divacancy (V$_{Si}$V$_{C}$) in cubic silicon carbide (3C-SiC) is a promising class of point defects for quantum technologies based on active crystalline centers. Within the theoretical framework of spin-polarized…
Topological insulators (TIs) are novel materials that manifest spin-polarized Dirac states on their surfaces or at interfaces made with conventional matter. We have measured the electron kinetics of bulk doped TI Bi$_2$Se$_3$ with angle…
It has recently been shown that the SOiCI approach [J. Phys.: Condens. Matter 34 (2022) 224007], in conjunction with the spin-separated exact two-component relativistic Hamiltonian, can provide very accurate fine structures of systems…
Unlike time-reversal topological insulators, surface metallic states with Dirac cone dispersion in the recently discovered topological crystalline insulators (TCIs) are protected by crystal symmetry. To date, TCI behaviors have been…
Combining the synthetic tunability of molecular compounds with the optical selection rules of transition metal dichalcogenides (TMDC) that derive from spin-valley coupling could provide interesting opportunities for the readout of quantum…
For the IV-VI semiconductor family we derive an exact relation between the microscopic gap edge wave functions of the bulk insulator and the Dirac-Weyl topological surface state wave function, thus obtaining a fully microscopic surface…
Co-adsorption of Bi and Sb on Ag(111) at room temperature yields a single-layer Bi(1-x)Sb(x) alloy with a rectangular 3xsqrt(3) structure containing four atoms per unit cell (2/3 ML total coverage) and lacking long-range chemical order. We…
Recently, unconventional superconductivity having a zero-bias conductance peak is reported in doped topological Dirac semimetal (DSM) with lattice distortion. Motivated by the experiments, we theoretically study the possible…
Dirac semimetals show nontrivial physical properties and can host exotic quantum states like Weyl semimetals and topological insulators under suitable external conditions. Here, by combining angle-resolved photoemission spectroscopy…
Noncollinear and noncoplanar spin textures in solids manifest themselves not only in their peculiar magnetism but also in unusual electronic and transport properties. We here report our theoretical studies of a noncoplanar order on a simple…
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…
The discovery of intriguing properties related to the Dirac states in graphene has spurred huge interest in exploring its two-dimensional group-IV counterparts, such as silicene, germanene, and stanene. However, these materials have to be…
Nodal line semimetals feature topologically protected band crossings between the bulk valence and conduction bands that extend along a finite dimension in the form of a line or a loop. While ZrSiS and similar materials have attracted…