相关论文: Topological States in Chevrel Phase Materials from…
Unconventional superconductivity in the Chevrel phase offers a wide structural aspect to understand the superconducting ground state. A detailed investigation on the superconducting properties of Re based pseudobinary telluride Chevrel…
To understand superconductivity in Chevrel phase compounds and guide the search for interesting properties in materials created with Chevrel phase molecules as building blocks, we use ab-initio methods to study the properties of single…
We present first-principles calculations to predict several three dimensional (3D) topological insulators in quaternary chalcogenide compounds which are made of I$_2$-II-IV-VI$_4$ compositions and in ternary compositions of I$_3$-V-VI$_4$…
We investigate the thermoelectric properties of some semiconducting Chevrel phases. Band structure calculations are used to compute thermopowers and to estimate of the effects of alloying and disorder on carrier mobility. Alloying on the Mo…
Tuning superconductivity in topological materials by means of chemical substitution, electrostatic gating, or pressure is thought to be an effective route towards realizing topological superconductivity with their inherent Majorana…
Topological phases are characterised by a topological invariant that remains unchanged by deformations in the Hamiltonian. Materials exhibiting topological phases include topological insulators, superconductors exhibiting strong spin-orbit…
Chevrel ternary superconductors show an intriguing coexistence of molecular aspects, large electron-phonon and electron-electron correlations, which to some extent still impedes their quantitative understanding. We present a first…
It is quite intriguing to investigate the transition from a topological insulator (TI) phase to topological crystalline insulator (TCI) phase in a material as the latter has an advantage over the former in controlled device applications.…
Topological states of quantum matter have attracted great attention in condensed matter physics and materials science. The study of time-reversal-invariant (TRI) topological states in quantum materials has made tremendous progress in both…
The discovery of new low-dimensional transition metal chalcogenides is contributing to the already prosperous family of these materials. In this study, needle-shaped single crystals of a new quasi-one-dimensional material…
Novel materials with nontrivial electronic and photonic band topology are crucial for realizing novel devices with low power consumption and heat dissipation, and quantum computing free of decoherence. Here using first-principles approach,…
We study the phase transition between a trivial and a time-reversal-invariant topological superconductor in a single-band system. By analyzing the interplay of symmetry, topology and energetics, we show that for a generic normal state band…
We report the electronic band structures and concomitant Fermi surfaces for a family of exfoliable tetradymite compounds with the formula $T_2$$Ch_2$$Pn$, obtained as a modification to the well-known topological insulator binaries…
The discovery of new topological electronic materials brings a chance to uncover novel physics and plays a key role in observing and controlling various intriguing phenomena. Up to now, many materials have been theoretically proposed and…
In this work, we report an ab initio investigation based on density functional theory of the structural, energetic and electronic properties of 2D layered chalcogenides compounds based in the combination of the transition-metals (Ti, Zr,…
The synthesis of new materials with novel or useful properties is one of the most important drivers in the fields of condensed matter physics and materials science. Discoveries of this kind are especially significant when they point to…
The van der Waals, pseudo-binary chalcogenides (ACh)m(Pn2Ch3)n (A = Ge, Mn, Pb, etc.; Pn = Sb or Bi; Ch = Te, Se) have recently been reported to host a vast landscape of topological phases of matter, including the quantum anomalous Hall…
Based on the first-principles calculations and experimental measurements, we report that the hexagonal phase of ternary transition metal pnictides TT'X (T=Zr, Hf; T'=Ru; X=P, As), which are well-known noncentrosymmetric superconductors with…
The quasi-one-dimensional Chevrel phases, A$_2$Mo$_6$Se$_6$ (A = Tl, In, K, Rb, Cs), are of interest due to their atypical electronic properties. The Tl and In analogues undergo a superconducting transition whereas the alkali metal…
In the search for stable topological semimetals with clean band profiles, we have screened all the 3$d$ metal-intercalated transition-metal dichalcogenides (3dI-TMDCs) by performing hybrid-functional-based ab initio calculations. Two…