相关论文: Highly Tunable Band Inversion in AB2X4 (A=Ge, Sn, …

Rare-earth monopnictide (RE-V) semimetal crystals subjected to hydrostatic pressure have shown interesting trends in magnetoresistance, magnetic ordering, and superconductivity, with theory predicting pressure-induced band inversion. Yet,…

The optical reflectivity of Pb$_{0.865}$Sn$_{0.135}$Se and Pb$_{0.75}$Sn$_{0.25}$Se solid solutions was measured in the THz spectral region energetically corresponding to bulk optical phonon excitations and in the temperature range from 40…

Alloying/doping in two-dimensional material has been important due to wide range band gap tunability. Increasing the number of components would increase the degree of freedom which can provide more flexibility in tuning the band gap and…

We have performed systematic first principles study of the electronic structure and band topology properties of $LnPn$ compounds ($Ln$=Ce, Pr, Gd, Sm, Yb; $Pn$=Sb, Bi). Assuming the $f$-electrons are well localized in these materials, both…

Interplay between topology and magnetism induces various exotic quantum phenomena, with magnetic topological insulators (MTIs) serving as a prominent example due to their ability to host the quantum anomalous Hall effect (QAHE). However,…

Heterostructures of topological insulator Bi$_2$Se$_3$ on transition metal dichalcogenides (TMDCs) offer a new materials platform for studying novel quantum states by exploiting the interplay among topological orders, charge orders and…

We present first-principles calculations of electronic structures of a class of two-dimensional (2D) honeycomb structures of group-V binary compounds. Our results show these new 2D materials are stable semiconductors with direct or indirect…

Combinations of non-trivial band topology and long-range magnetic order hold promise for realizations of novel spintronic phenomena, such as the quantum anomalous Hall effect and the topological magnetoelectric effect. Following theoretical…

By means of ternary chemical potential phase diagram and phonon spectrum calculations, we propose that $M$Tl$_4$Te$_3$ ($M$ = Cd, Hg), the derivatives of Tl$_5$Te$_3$, are thermodynamically and dynamically stable in the body centered…

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 evolution of bulk band structure and surface states in rare earth mono-bismuthides with partially filled f shell. Utilizing synchrotron-based photoemission spectroscopy, we determined the three-dimensional bulk band…

Three dimensional materials with strong spin-orbit coupling and magnetic interactions represent an opportunity to realize a variety of rare and potentially useful topological phases. In this work, we use first principles calculations to…

The reliable calculation of electronic structures and understanding of electrical properties depends on an accurate model of the crystal structure. Here, we have reinvestigated the crystal structure of the high-zT thermoelectric material…

In$_2$Se$_3$ is a semiconductor material that can be stabilized in different crystal structures (at least one 3D and several 2D layered structures have been reported) with diverse electrical and optical properties. This feature has plagued…

In this study, we investigate the electronic, optical, thermoelectric, and thermodynamic properties of Ca(InP)2 through comprehensive theoretical calculations Ca(InP)2 is a compound with promising applications in materials science and…

Recent years have seen multiple high-throughput studies reveal an immense number of topological materials through use of symmetry indicators. Despite this success, three-dimensional topological insulators (TI) admitting a band-gap larger…

Macroscopic two-dimensional sonic crystals with inversion symmetry are studied to reveal higher-order topological physics in classical wave systems. By tuning a single geometry parameter, the band topology of the bulk and the edges can be…

Bi2Se3 is a prototypical topological insulator which has a small band gap (~0.3 eV) and topologically protected conducting surface states. This material exhibits quite strong thermoelectric effects. Here we show in a mechanically exfoliated…

Fast-ion conductors such as BaSnF4 are of significant interest for next-generation solid-state battery technologies due to their high ionic conductivity and chemical stability. However, the behaviour of these materials under extreme…

While $\sim$30% of materials are reported to be topological, topological insulators are rare. Magnetic topological insulators (MTI) are even harder to find. Identifying crystallographic features that can host the coexistence of a…