Related papers: Lone pair driven anisotropy in antimony chalcogeni…
Single layers of transition metal dichalcogenides such as MoS$_2$ are direct bandgap semiconductors with optical and electronic properties distinct from multilayers due to strong vertical confinement. Despite the fundamental monolayer limit…
The semimetallic Group V elements display a wealth of correlated electron phenomena due to a small indirect band overlap that leads to relatively small, but equal, numbers of holes and electrons at the Fermi energy with high mobility. Their…
Four ternary semiconductors with the chalcopyrite structure (BeCN2, BeSiN2, MgCN2, and MgSiN2) were studied using the first principles methods. The structural, electronic, optical and elastic properties were calculated. All these materials…
In this work, we study the electronic properties of monolayer transition metal dichalcogenide materials subjected to aliovalent doping, using Nb-doped WS2 as an exemplar. Scanning transmission electron microscopy imaging of the as-grown…
The emergence of van der Waals (vdW) materials resulted in the discovery of their giant optical, mechanical, and electronic anisotropic properties, immediately enabling countless novel phenomena and applications. Such success inspired an…
Kagome metals $A$V$_3$Sb$_5$ ($A=$ K, Rb, Cs) provide a compelling platform to explore the interplay between superconductivity (SC) and charge-density-wave (CDW) orders. While distinct CDW orders have been identified in K/RbV$_3$Sb$_5$…
Photostriction is predicted for SnS and SnSe monolayers, two-dimensional ferroelectrics with rectangular unit cells (the lattice vector $\mathbf{a}_1$ is larger than $\mathbf{a}_2$) and an intrinsic dipole moment parallel to $\mathbf{a}_1$.…
Binary tin sulfides are appealing because of their simple stoichiometry and semiconducting properties and are potentially cost-effective optoelectronic materials. The multivalency of Sn allows yet more intermediate compositions,…
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…
Experimental determination of the structure of the superconducting order parameter in the kagome lattice compound CsV$_3$Sb$_5$ is an essential step towards understanding the nature of the superconducting pairing in this material. Here we…
Low-dimensional media have exhibited optical anisotropy that is unachievable in traditional 3D media due to the asymmetry of their strong, in-plane covalent bonds and weak out-of-plane van der Waals interactions. As a result, 2D media are…
We have used angle resolved photoemission spectroscopy to investigate the band structure of ReS$_2$, a transition-metal dichalcogenide semiconductor with a distorted 1T crystal structure. We find a large number of narrow valence bands,…
We study superconductivity of electron systems with both spin and pseudospin-1/2 degrees of freedom. By solving linearized gap equations, we derive a weak coupling criterion for the even-parity spin-singlet pseudospin-triplet pairing. It…
Tin monochalcogendies SnS and SnSe, belonging to a familiy of van der Waals crystals isoelectronic to black phosphorus, are know as enivornmetally-friendly materials promisng for thermoelecric conversion applications. However, they exhibit…
In modern optics, materials with large birefringence ({\Delta}n, where n is the refractive index) are sought after for polarization control (e.g. in wave plates, polarizing beam splitters, etc.), nonlinear optics and quantum optics (e.g.…
In our present work, five previously proposed sp$^3$ carbon crystals were suggested as silicon allotropes and their stabilities, electronic and optical properties were investigated by first-principles method. We find that these allotropes…
Single crystalline materials, different from polycrystalline and twinning structures, are desired for investigating the intrinsic physical properties, as grain and twin boundaries often work as a source of artifacts. Bismuth chalcogenides,…
Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as…
Cu based ternary chalcogenides are gathering attention for sustainable energy applications due to their reduced complexity compared to quaternary alternatives. We used drift diffusion modeling to evaluate the feasibility of photovoltaics…
It is usually supposed that only low-symmetry two-dimensional (2D) materials exhibit anisotropy, here we show that high-symmetry 2D semiconductors can show significant anisotropy in momentum space due to the band structure anisotropy in…