Related papers: Plutonium hexaboride is a correlated topological i…
This study uses the Density Functional Theory to explore the pressure dependent properties of hexagonal BeB2C. The metallic nature of BeB2C was substantiated at ambient pressure, with pressure induced alterations in electronic band…
Possible existence of topologically protected surface in samarium hexaboride has created a strong need for investigations allowing to distinguish between properties coming from the surface states and those originating in the (remaining)…
Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high temperatures and pressures is of special interest but is…
Topological superconductivity is an exotic quantum phenomenon with coupled nontrivial topological order and superconductivity together. A direct idea for producing topological superconductors is to create superconductivity based on the well…
The metallic surface state of a topological insulator (TI) is not only topologically protected, but exhibits a remarkable property of inducing an effective vector potential on curved surfaces. For an electron in the surface state of a…
We address the long-standing mystery of the nonmagnetic insulating state of the intermediate valence compound SmB$_6$. Within a combination of the local density approximation (LDA) and an exact diagonalization (ED) of an effective discrete…
A single monolayer of the layered semimetal WTe2 behaves as a two-dimensional topological insulator, with helical conducting edge modes surrounding a bulk state that becomes insulating at low temperatures. Here we present evidence that the…
Recently, Pei et al. (arXiv2105.13250) reported that ambient pressure ${\beta}$-MoB$_2$ exhibits a phase transition to ${\alpha}$-MoB$_2$ (space group: $P6/mmm$) at pressure P~70 GPa and this high-pressure phase is a high-temperature…
It was generally assumed that weak van der Waals interactions exist between neighboring layers in the two-dimensional group-IV chalcogenides. Using PbSe as a prototypal example, however, we find additional strong coupling between the Pb-Pb…
Kondo insulators have recently aroused great interest because they are promising materials that host a topological insulator state caused by the strong electron interactions. Moreover, recent observations of the quantum oscillations in the…
We have synthesized Pb_{5}Bi_{24}Se_{41}, which is a new member of the (PbSe)_{5}(Bi2Se3)_{3m} homologous series with m = 4. This series of compounds consist of alternating layers of the topological insulator Bi2Se3 and the ordinary…
Identifying materials hosting an excitonic insulator ground state has been one of the major pursuits in condensed matter physics in recent years. Promising candidates in transition metal chalcogenide compounds (TMC), including…
Based on first-principles calculations, we reported that external pressure can induce topological phase transition in alkaline-earth hexaborides, XB6 (X=Ca, Sr, Ba). It was revealed that XB6 is transformed from trivial semiconductors to…
Topological insulators are emerging materials with insulating bulk and symmetry protected nontrivial surface states. One of the most fascinating transport behaviors in a topological insulator is the quantized anomalous Hall insulator, which…
Rubber compounds for pressure sealing application typically have inferior dimensional stability with temperature fluctuations compared with their steel counterparts. This effect may result in seal leakage failures when subjected to…
We present a new model to explain the difference between the transport and spectroscopy gaps in samarium hexaboride (SmB$_6$), which has been a mystery for some time. We propose that SmB$_6$ can be modeled as an intrinsic semiconductor with…
Quantum materials with non-trivial band topology and bulk superconductivity are considered superior materials to realize topological superconductivity. In this regard, we report detailed Density Functional Theory (DFT) calculations and Z2…
Room-temperature superconductivity has always been regarded as the ultimate goal in the fields of solid-state physics and materials science, with its realization holding revolutionary significance, capable of triggering significant changes…
In 5d transition metal oxides such as the iridates, novel properties arise from the interplay of electron correlations and spin-orbit interactions. We investigate the electronic structure of the pyrochlore iridates, (such as…
Engineering materials with high thermal conductivity are of fundamental interest for efficiently dissipating heat in micro/nanoelectronics. Using first principles computations we report an ultra-high thermal conductivity of 2090 Wm-1K-1…