相关论文: Structural band-gap tuning in g-C$_3$N$_4$

We investigate the temperature effect on the electronic band structure and optical absorption property of wide-band-gap ternary nitride MgSiN$_2$ using first-principles calculations. We find that electron-phonon coupling leads to a sizable…

We consider electronic and optical properties of group III-Nitride monolayers using first-principle calculations. The group III-Nitride monolayers have flat hexagonal structures with almost zero planar buckling, $\Delta$. By tuning the…

We study the optical reflectivity of three-dimensional (3D) photonic band gap crystals with increasing thickness. The crystals consist of GaAs plates with nanorod arrays that are assembled by an advanced stacking method into high-quality 3D…

ZnO/GaN alloys exhibit exceptional photocatalyst applications owing to the flexibly tunable band gaps that cover a wide range of the solar spectrum, and thus have attracted extensive attentions over the past few years. In this study,…

We present a theoretical study on the band structures of the electron constrained to move along triply-periodic minimal surfaces. Three well known surfaces connected via Bonnet transformations, namely P-, D-, and G-surfaces, are considered.…

We show that, if graphene is subjected to the potential from an external superlattice, a band gap develops at the Dirac point provided the superlattice potential has broken inversion symmetry. As a numerical example, we calculate the band…

Special optical structures composed of superconducting nanostructure based on the elemental type-II and layered high-Tc superconductors are proposed. The photonic band structure and the optical S-matrix are calculated for these proposed…

A newly synthesized layered material C2N was investigated based on many- body perturbation theory using GW plus Bethe-Salpeter equation approach. The electronic band gap was determined to be ranging from 3.75 to 1.89 eV from monolayer to…

Finding an effective and controllable way to create a sizable energy gap in graphene-based systems has been a challenging topic of intensive research. We propose that the hybrid of boron nitride and graphene (h-BNC) at low BN doping serves…

New generation Indium based lead-free Cs2InAgCl6 is a promising halide material in photovoltaic applications due to its good air stability and non-toxic behavior. But its wide band gap (>3 eV) is not suitable for solar spectrum and hence…

In photonic crystals the propagation of light is governed by their photonic band structure, an ensemble of propagating states grouped into bands, separated by photonic band gaps. Due to discrete symmetries in spatially strictly periodic…

Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…

We propose a microscopic model to describe the scattering of light by atoms in optical lattices. The model is shown to efficiently capture Bragg scattering, spontaneous emission and photonic band gaps. A connection to the transfer matrix…

Photonic time crystals are a class of artificial materials that have only recently been explored. They are characterized by the ultrafast modulation of the material properties in time, causing a momentum bandgap for light that propagates…

The development of Si$_3$N$_4$ nanobeam optomechanical crystals is reviewed. These structures consist of a 350 nm thick, 700 nm wide doubly-clamped Si$_3$N$_4$ nanobeam that is periodically patterned with an array of air holes to which a…

We study the electronic and structural properties of substitutional impurities of graphenelike nanoporous materials C$_2$N, $tg$-, and $hg$-C$_3$N$_4$ by means of density functional theory calculations. We consider four types of impurities;…

We explain the nature of the electronic band gap and optical absorption spectrum of Carbon - Boron Nitride (CBN) hybridized monolayers using density functional theory (DFT), GW and Bethe-Salpeter equation calculations. The CBN…

The nonlinear propagation of 3D wave-packets in a 1D Bragg-induced band-gap system, shows that tranverse effects (free space diffraction) affect the interplay of periodicity and nonlinearity, leading to the spontaneous formation of fast and…

We investigate the formation of photonic bound states in the continuum (BICs) in photonic crystal slabs from an analytical perspective. Unlike the stationary at-$\Gamma$ BICs which origin from the geometric symmetry, the tunable…

Based on ab initio density-functional-theory using generalized gradient approximation, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently [Ma \textit{et al.}, Nature…