相关论文: Topological Critical Materials of Ternary Compound…

We use a first-principles rational-design approach to identify a previously-unrecognized class of antiferroelectric materials in the $Pnma$ MgSrSi structure type. The MgSrSi structure type can be described in terms of antipolar distortions…

The silicide superconductors (Ta, Nb, Zr)OsSi are among the best candidate materials for investigating the interplay of topological order and superconductivity. Here, we investigate in detail the normal-state topological properties of (Ta,…

Amorphous complexions have recently been demonstrated to simultaneously enhance the ductility and stability of certain nanocrystalline alloys. In this study, three quinary alloys (Cu-Zr-Hf-Mo-Nb, Cu-Zr-Hf-Nb-Ti, and Cu-Zr-Hf-Mo-W) are…

The discovery of novel quantum materials within ternary phase spaces containing antagonistic pair such as Fe with Bi, Pb, In, and Ag, presents significant challenges yet holds great potential. In this work, we investigate the stabilization…

Three dimensional topological insulator crystals consist of an insulating bulk enclosed by metallic surfaces, and detailed theoretical predictions about the surface state band topology and spin texture are available. While several…

We use first principles calculations to study the electronic properties of rock salt rare earth monopnictides La$X$ ($X=$N, P, As, Sb, Bi). A new type of topological band crossing termed `linked nodal rings' is found in LaN when the small…

AB5 compounds (A = rare earth, B = transition metal) have been widely studied as anodes for Ni-MH applications. However, they have reached their technical limitations and the search for new promising materials with high capacity is…

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 an ab-initio density functional theory based electronic structure method with a semi-local density approximation, we study thin-film electronic properties of two topological insulators based on ternary compounds of Tl (Thallium) and…

Complexions are phase-like interfacial features that can influence a wide variety of properties, but the ability to predict which material systems can sustain these features remains limited. Amorphous complexions are of particular interest…

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…

We propose helical topological superconductivity away from the Fermi surface in three-dimensional time-reversal-symmetric odd-parity multiband superconductors. In these systems, pairing between electrons originating from different bands is…

The aim of this paper is two-fold. First, via a phenomenological consideration I show that, equally with the conventional phases (body-centred cubic, hexagonal planar and lamellar), such non-conventional phases as simple cubic,…

Topological crystalline insulators are new states of matter in which the topological nature of electronic structures arises from crystal symmetries. Here we predict the first material realization of topological crystalline insulator in the…

Topological surface states with intrinsic magnetic ordering in the MnBi$_2$Te$_4$(Bi$_2$Te$_3$)$_n$ compounds have been predicted to host rich topological phenomena including quantized anomalous Hall effect and axion insulator state. Here…

Superconductivity in topological insulators is expected to show very unconventional features such as $p+ip$ order parameter, Majorana fermions etc. However, the intrinsic superconductivity has been observed in a very limited number of…

Ternary tetradymites Bi2Te2S, Bi2Te2Se and Bi2Se2Te are found to be stable, bulk topological insulators via theory, showing band inversion between group V and VI pz orbitals. We identify Bi2Se2Te as a good candidate to study massive Dirac…

To explain the unusual non-saturating linear magnetoresistance observed in silver chalcogenides, the quantum scenario has been proposed based on the assumption of gapless linear energy spectrum. Here we show, by first principles…

Recent theories and experiments have suggested that strong spin-orbit coupling effects in certain band insulators can give rise to a new phase of quantum matter, the so-called topological insulator, which can show macroscopic entanglement…

Recently the Quantum Spin Hall effect (QSH) was theoretically predicted and experimentally realized in a quantum wells based on binary semiconductor HgTe[1-3]. QSH state and topological insulators are the new states of quantum matter…