Related papers: New Group V Elemental Bilayers: A Tunable Structur…
The newly discovered family of titanium-based kagome metals, ATi$_{3}$Bi$_{5}$ (where A can be Rb or Cs), has been found to exhibit non-trivial band topology and fascinating electronic instabilities, including electronic nematicity and…
Inter-twisted bilayers of two-dimensional (2D) materials can host low-energy flat bands, which offer opportunity to investigate many intriguing physics associated with strong electron correlations. In the existing systems, ultra-flat bands…
In investigating the topological electronic structures of monolayer $\alpha$-phase group V elements, we uncover a new topological phase, which is invisible in the symmetry-based topological quantum chemistry (TQC) as well as symmetry…
Nonmagnetic topological insulators (TIs) are known for their robust metallic surface/edge states that are protected by time-reversal symmetry, making them promising candidates for next-generation spintronic and nanoelectronic devices.…
In order to provide a quantitatively accurate description of the band gap variation with sizes in various II-VI semiconductor nanocrystals, we make use of the recently reported tight-binding parametrization of the corresponding bulk…
In this work, the structural, electrical, and optical properties of bilayer SiX (X= N, P, As, and Sb) are studied using density functional theory (DFT). Five different stacking orders are considered for every compound and their structural…
By means of first-principles calculations and crystal structure searching techniques, we predict that a new NaCaBi family crystallized into the ZrBeSi-type structure (\ie $P6_{3}/mmc$) are strong topological insulators (STIs). Taking…
Three-dimensional topological insulators have been studied for approximately fifteen years, but those made from group-IV elements, especially Ge and Sn, seem particularly attractive owing to their nontoxicity, sizable intrinsic spin-orbit…
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…
Owing to the interaction between the layers, the twisted bilayer two-dimensional materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in…
Applying long wavelength periodic potentials on quantum materials has recently been demonstrated to be a promising pathway for engineering novel quantum phases of matter. Here, we utilize twisted bilayer boron nitride (BN) as a moir\'e…
We report the computational investigation of a series of ternary X$_4$Y$_2$Z and X$_5$Y$_2$Z$_2$ compounds with X={Mg, Ca, Sr, Ba}, Y={P, As, Sb, Bi}, and Z={S, Se, Te}. The compositions for these materials were predicted through a search…
Topological band insulators and (semi-) metals can arise out of atomic insulators when the hopping strength between electrons increases. Such topological phases are separated from the atomic insulator by a bulk gap closing. In this work, we…
The investigation of topological materials has uncovered groundbreaking phases of matter with significant implications for quantum technologies. Here, we explore the antiferromagnetic topological insulator family…
We study the stability and electronic structure of previously unexplored two-dimensional (2D) ternary compounds BNP$_2$ and C$_2$SiS. Using $ab$ $initio$ density functional theory, we have identified four stable allotropes of each ternary…
One novel family of two-dimensional IV-V compounds have been proposed, whose dynamical stabilities and electronic properties have been systematically investigated using the density functional theory. Extending from our previous work, two…
Two-dimensional silicon carbide stands out among 2D materials, primarily due to its notable band gap, unlike its carbon-based counterparts. However, the binary nature and non-layered structure of bulk SiC present challenges in fabricating…
In this article, we report the electronic band structures of hexagonal bilayer systems, specifically, rotated graphene-graphene and boron nitride-boron nitride bilayers, by introducing an angle between the layers and forming new periodic…
Using first-principles plane wave calculations, we investigate two dimensional honeycomb structure of Group IV elements and their binary compounds, as well as the compounds of Group III-V elements. Based on structure optimization and phonon…
Quantum spin rings represent fundamental model systems that exhibit distinctive quantum phenomena-such as quantum critical behavior and quasiparticle excitations-arising from their periodic boundary conditions and enhanced quantum…