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Conversion of Si to a direct bandgap semiconductor for optoelectronic application is a great challenge for many decades. It is proposed that embedment of suitable sized quantum dots into silicon matrix may be exploited to convert silicon to…
Rich valleytronics and diverse defect-induced or interlayer pre-bandgap excitonics have been extensively studied in transition metal dichalcogenides (TMDCs), a system with fascinating optical physics. However, more intense high-energy…
Metal sulfides are emerging as an important class of materials for photocatalytic applications, because of their high photo responsive nature in the wide visible light range. CdS in this class of materials, have a direct band gap of 2.4 eV,…
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…
Crystalline semiconductors may exist in different polytypic phases with significantly different electronic and optical properties. In this paper, we calculate the electronic structure and optical properties of diamond, Si and Ge in the…
Two-dimensional materials (2DMs) meet the demand of broadband and low-cost photodetection on silicon for many applications. Currently, it is still very challenging to realize excellent silicon-2DM PDs. Here we demonstrate…
We perform high-throughput density functional theory (DFT) calculations for optoelectronic properties (electronic bandgap and frequency dependent dielectric function) using the OptB88vdW functional (OPT) and the Tran-Blaha modified Becke…
The silicon-vacancy (SiV) and nitrogen-vacancy (NV) centers in diamond are commonly regarded as prototypical defects for solid-state quantum information processing. Here we show that when silicon and nitrogen are simultaneously introduced…
Kesterite I$_2$-II-IV-V$_4$ semiconductors are promising solar absorbers for photovoltaics applications. The band gap and it's character, either direct or indirect, are fundamental properties determining photovoltaic-device efficiency. We…
Two-dimensional conjugated metal-organic frameworks (2D c-MOFs) are emerging as a unique class of 2D electronic materials. However, intrinsically semiconducting 2D c-MOFs with gaps in the Vis-NIR and high charge carrier mobility have been…
The high-pressure behavior of silicon telluride (Si2Te3), a two-dimensional (2D) layered material, was investigated using synchrotron X-ray powder diffraction in a diamond anvil cell to 11.5 GPa coupled with first-principles theory. Si2Te3…
With the reported synthesis of a fully planar 2D silicon carbide (SiC) allotrope, the possibilities of its technological applications are enormous. Recently, several authors have computationally studied the structures and electronic…
Wide bandgap semiconductors are widely used in photonic technologies due to their advantageous features, such as large optical bandgap, low losses, and fast operational speeds. Silicon carbide is a prototypical wide bandgap semiconductor…
In this article, a brief introduction is first given on infrared studies of materials at high pressures using a diamond anvil cell. Then, our recent results of high-pressure infrared studies are described for Mg$_2$Si, InAs, and InSb. For…
Recently, a silicon micromachining method to produce tetrahedral silicon particles was discovered. In this report we determine, using band structure calculations, the optical properties of diamond-lattice photonic crystals when assembled…
We investigate the electronic structure of high-density layers of Sb dopants in a silicon host, so-called Si:Sb $\delta$-layers. We show that, in spite of the known challenges in producing highly confined Sb $\delta$-layers, sufficient…
All-dielectric nanoantennas have recently opened exciting opportunities for functional nanophotonics, owing to their strong optical resonances along with low material loss in the near-infrared range. Pushing these concepts to the visible…
In this study, we investigate the electronic, optical, thermoelectric, and thermodynamic properties of Ca(InP)2 through comprehensive theoretical calculations Ca(InP)2 is a compound with promising applications in materials science and…
The demand for advanced photonics technology is increasing rapidly, fueled by the necessity for high-performance and cost-effective optical information processing systems extending into the quantum domain. Silicon, benefiting from its…
We predict the existence of new two dimensional silicon carbide nanostructure employing ab initio density-functional theory calculations. These structures are composed of tetragonal and hexagonal rings with C-C and Si-C bonds arranged in a…