Related papers: Efficient strain-induced light emission in lonsdal…
We studied the electronic structure and optic absorption of phosphorene (monolayer of black phosphorus) under strain. Strain was found to be a powerful tool for the band structure engineering. The in-plane strain in armchair or zigzag…
Strain engineering is a powerful tool for tuning physical properties of 2D materials, including monolayer transition metal dichalcogenides (TMD) -- direct bandgap semiconductors with strong excitonic response. Here, we demonstrate an…
Electronic and transport properties of bilayer heterostructure under light irradiation are of fundamental interest to improve functionality of optoelectronic devices. We theoretically study the modification of transport properties of…
We study electron transport in a strained graphene sheet subjected to a sequence of $N$ electrostatic and magnetic barriers. Employing a modified and improved transfer-matrix framework, we examine how the transmission and reflection…
Molybdenum disulfide (MoS$_2$) has attracted interest owing to its strain-tuned electronic and optical properties, making it a promising candidate for applications in strain engineering devices. In this study, we investigate the effect of…
We employ first principles density-functional theory (DFT) and the Bethe-Salpeter equation (BSE) in the framework of tight-binding based maximally localized Wannier functions (MLWF-TB) model to investigate the electronic and optical…
We calculate the electronic structures of Germanium nanowires by taking the effective-mass theory. The electron and hole states at the G-valley are studied via the eight-band k.p theory. For the [111] L-valley, we expand the envelope wave…
The quasiparticle (QP) band structures of both strainless and strained monolayer MoS$_{2}$ are investigated using more accurate many body perturbation \emph{GW} theory and maximally localized Wannier functions (MLWFs) approach. By solving…
Transition metal dichalcogenides (TMDs) are layered materials that have a semiconducting phase with many advantageous optoelectronic properties, including tightly bound excitons and spin-valley locking. In Tungsten-based TMDs, spin and…
We propose new confinement structures similar to heterostructures and superlattices. The new heteostructures can be obtained by applying strain to a single material in a periodic or aperiodic way. The conversion of an indirect gap into an…
Before assessing the suitability of a semiconductor for specific applications, the first question to ask is whether it possesses a direct or indirect band gap. This distinction is fundamental, as the operation of devices such as…
Our First-principles Full-Potential Density Functional Theory (DFT) calculations show that a monolayer of ZnS (ML-ZnS), which is predicted to adopt a graphene-like planar honeycomb structure with a direct band gap, undergoes strain-induced…
We studied the effect of external pressure on the optical response of the nodal-line semimetal candidate ZrSiTe by reflectivity measurements. At pressures of a few GPa, the reflectivity, optical conductivity, and loss function are strongly…
Monolayer transition metal dichalcogenides (TMDs) exhibit a remarkably strong Coulomb interaction that manifests in tightly bound excitons. Due to the complex electronic band structure exhibiting several spin-split valleys in the conduction…
It is difficult to intuit how electronic structure features$-$such as band gap magnitude, location of band extrema, effective masses, etc.$-$arise from the underlying crystal chemistry of a material. Here we present a strategy to distill…
Two-dimensional materials with hexagonal symmetry such as graphene and transition metal dichalcogenides} are unique materials to study light-field-controlled electron dynamics inside of a solid. Around the $K$-point, the dispersion relation…
We model the low energy dynamics of graphene in the continuum in terms of a version of Reduced Quantum Electrodynamics restricting fermions to a (2+1)-dimensional brane, whilst photons remain within the (3+1)-dimensional bulk. For charge…
We present a method to fabricate tensile-strained germanium-on-insulator (GOI) substrates using heteroepitaxy and layer transfer techniques. The motivation is to obtain a high-quality wafer-scale GOI platform suitable for silicon-compatible…
This article discusses the pressure-induced structural phase transition and related phonon, electronic and optical properties of hexagonal {\epsilon}-GaSe using first-principles calculations. The study focuses on optimizing geometric and…
To overcome the limitations of graphene due to lack of intrinsic band gap, it is generally functionalized with hydrogen or halogen atoms such as fluorine and chlorine. Generally, such functionalization yields a moderate- to high-band-gap…