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The discovery of 2D materials opens up unprecedented opportunities to design new materials with specified properties. In many cases, the design guiding principle is based on one or another proximity effect, i.e. the nanoscale-penetration of…
The soft wall AdS/QCD holographic model provides simple estimates for the spectra of light mesons and glueballs satisfying linear Regge trajectories. It is also an interesting tool to represent the confinement/deconfinement transition of a…
Low-dimensional electron systems, as realized naturally in graphene or created artificially at the interfaces of heterostructures, exhibit a variety of fascinating quantum phenomena with great prospects for future applications. Once…
We search for novel two-dimensional materials that can be easily exfoliated from their parent compounds. Starting from 108423 unique, experimentally known three-dimensional compounds we identify a subset of 5619 that appear layered…
Both theoretical and experimental analysis are carried out to understand the physical properties of the fascinating electronic and optical properties of antimony tungstate (Sb$_2$WO$_6$). The nanosized ($\sim 40-80~nm$) material is produced…
Kagome lattice systems have been proposed to host rich physics, which provide an excellent platform to explore unusual quantum states. Here, we report on the discovery of superconductivity in van der Waals material Pd3P2S8 under pressure.…
We present an open-system quantum-mechanical real-space study of the conductive properties and size quantization in phosphorus $\delta$-layers systems, interesting for their beyond-Moore and quantum computing applications. Recently it has…
Many monolayer transition metal dichalcogenides, including MoS$_2$, MoSe$_2$, WS$_2$, and WSe$_2$, are direct bandgap two-dimensional (2D) semiconductors with sharp optical resonances at excitonic bound state frequencies. Recent experiments…
2D materials have intriguing quantum phenomena that are distinctively different from their bulk counterparts. Recently, epitaxially synthesized wafer-scale 2D metals, composed of elemental atoms, are attracting attention not only for their…
We report an unusual insulating state in one-dimensional quantum wires with a non-uniform confinement potential. The wires consist of a series of closely spaced split gates in high mobility GaAs/AlGaAs heterostructures. At certain…
Nearly four decades after its theoretical prediction, the search for material realizations of quantum anomalous Hall effect (QAHE) remains a highly active field of research. Many materials have been predicted to exhibit quantum anomalous…
The quantum spin Hall (QSH) effect, first predicted in graphene by Kane and Mele in 2004, has emerged as a prototypical platform for exploring spin-orbit coupling, topology, and electronic interactions. Initially realized experimentally in…
Atomic effective pseudopotentials enable atomistic calculations at the level of accuracy of density functional theory for semiconductor nanostructures with up to fifty thousand atoms. Since they are directly derived from ab-initio…
We compare the ability of four popular hybrid density functionals (B3LYP, B3PW91, HSE, and PBE0) for predicting band gaps of semiconductors and insulators over a large benchmark set using a consistent methodology. We observe no significant…
Quantum manifestations of various properties of metallic thin films by quantum size effect (QSE) have been studied intensively. Here, using first-principles calculations, we show quantum manifestation in dielectric properties of Al(111)…
We explore potentials that break time-reversal symmetry to confine the surface states of 3D topological insulators into quantum wires and quantum dots. A magnetic domain wall on a ferromagnet insulator cap layer provides interfacial states…
The band structure and electronic properties in a series of vinylene-linked heterocyclic conducting polymers are investigated using density functional theory (DFT). In order to accurately calculate electronic band gaps, we utilize hybrid…
We have studied the structural and electronic properties of defect chalcopyrite semiconductors AAl2Se4 (A = Ag, Cu, Cd, Zn) using Density Functional Theory (DFT) based first principle technique within Tight binding Linear Muffin Tin orbital…
Bandstructure engineering using alloying is widely utilised for achieving optimised performance in modern semiconductor devices. While alloying has been studied in monolayer transition metal dichalcogenides, its application in van der Waals…
We report on fabrication of devices integrating FeTe$_{0.55}$Se$_{0.45}$ with other van-der-Waals materials, measuring transport properties as well as tunneling spectra at variable magnetic fields and temperatures down to 35 mK. Transport…