相关论文: Computational study of heavy group IV elements (Ge…

Finding stimuli capable of driving an imbalance of spin-polarised electrons within a solid is the central challenge in the development of spintronic devices. However, without the aid of magnetism, routes towards this goal are highly…

Looking for new materials with Dirac points has been a fascinating subject of research. Here we report the growth, crystal structure, and band structure of HfGe0.92Te single crystals, featuring three different types of Dirac points.…

Graphene, the atomic-thin layer of carbon atoms, was first isolated on an insulating substrate in 2004 by two groups in Manchester University [1, 2] and Columbia [3]. Those milestone experiments established the Dirac nature of the charge…

In topological quantum materials the conduction and valence bands are connected at points (Dirac/Weyl semimetals) or along lines (Line Node semimetals) in the momentum space. Numbers of studies demonstrated that several materials are indeed…

The geometric, electronic, magnetic, thermal, and optical properties of transition metal (TM) doped silicene are systematically explored using spin-dependent density functional computation. We find that the TM atoms decrease the buckling…

GICs doped with elements containing d and f orbitals have been studied rarely. We control the distribution and density of intercalated actinide metals (Th, U and Pu), and consider the effect of changing the distance of two adjacent carbon…

For potential applications in spintronics and quantum computing, it is desirable to place a quantum spin Hall insulator [i.e., a 2D topological insulator (TI)] on a substrate while maintaining a large energy gap. Here, we demonstrate a…

The dice lattice, containing a stack of three triangular lattices, has been proposed to exhibit nontrivial flat bands with nonzero Chern numbers, but unlike the honeycomb lattice it is much less studied. By employing density-functional…

The rich structure of solid state physics provides us with Dirac materials the effective theory of which enjoys the Lorentz symmetry. In non-symmorphic lattices, the Lorentz symmetry will be deformed in a way that the null energy-momentum…

We present density functional theory (DFT) calculations for 6H-SiC$\{0001\}$ surfaces with different surface stackings and terminations. We compare the relative stability of different $(0001)$ and $(000\bar1)$ surfaces in terms of their…

Nontrivial topology of Dirac (DSMs), Weyl (WSMs) and nodal line semimetals (NLSMs) are delineated by the novel band crossings near the Fermi level in the bulk and the appearance of exotic surface states. Among them, nodal line semimetals…

We study the electronic structure of the Re(0001) surface by means of ab-initio techniques based on the Fully Relativistic (FR) Density Functional Theory (DFT) and the Projector Augmented-Wave (PAW) method. We identify the main surface…

We propose three transition-metal adatom systems on 3C-SiC(111) surfaces as a versatile platform to realize massless Dirac fermions and flat bands with strong electronic correlations. Using density functional theory combined with the…

Silicon can be heavily doped with phosphorus in a single atomic layer (a $\delta$ layer), significantly altering the electronic structure of the conduction bands within the material. Recent progress has also made it possible to further dope…

Strong spin-orbit coupling (SOC) can result in ground states with non-trivial topological properties. The situation is even richer in magnetic systems where the magnetic ordering can potentially have strong influence over the electronic…

A low-energy theory for the helical metallic states, residing on the surface of cubic topological Kondo insulators, is derived. Despite our analysis being primarily focused on a prototype topological Kondo insulator, Samarium hexaboride…

Magnetism in solids generally originates from the localized $d$- or $f$-orbitals that are hosted by heavy transition-metal elements. Here, we demonstrate a novel mechanism for designing half-metallic $f$-orbital Dirac fermion from…

The paper presents the author view on spin-rooted properties of graphene supported by numerous experimental and calculation evidences. Dirac fermions of crystalline graphene and local spins of graphene molecules are suggested to meet a…

Engineered spin-orbit coupling (SOC) in cold atom systems can aid in the study of novel synthetic materials and complex condensed matter phenomena. Despite great advances, alkali atom SOC systems are hindered by heating from spontaneous…

In the presence of spin-orbit coupling (SOC), achieving both spin and valley polarized Dirac state is significant to promote the fantastic integration of Dirac physics, spintronics and valleytronics. Based on ab initio calculations, here we…