Related papers: Structural band-gap tuning in g-C$_3$N$_4$
The compositional dependence of the lowest direct and indirect band gaps in $\text{Ge}_{1-y}\text{Sn}_{y}$ has been determined from room-temperature photoluminescence measurements. This technique is particularly attractive for a comparison…
The structural and electronic properties of cubic GaN are studied within the local density approximation by the full-potential linear muffin-tin orbitals method. The Ga $3d$ electrons are treated as band states, and no shape approximation…
Many experimental systems exist that possess charge-density-wave order in their ground state. While this order should be able to be described with models similar to those used for superconductivity, nearly all systems have a ratio of the…
We develop a theory to compute and interpret the photonic band structure of a periodic array of metallic helices for the first time. Interesting features of band structure include the ingenuous longitudinal and circularly polarized…
In this research work, the 2D structure of the germanene layer is compounded with 2D group-III phosphides: AlP and GaP. The planar structure of AlP and low-buckled GaP have been taken to form the bilayer patterns. In each case, three…
We study the effect of boron (B) and Phosphorous (P) co-doping on electronic and optical properties of graphitic carbon nitride (g-C$_3$N$_4$ or GCN) monolayer using density functional simulations. The energy band structure indicates that…
Bound states in the continuum (BICs) and Fano resonances in planar photonic lattices, including metasurfaces and photonic crystal slabs, have been studied extensively in recent years. Typically, the BICs and Fano resonances are associated…
Spatial gaps correspond to the projection in position space of the gaps of a periodic structure whose envelope varies spatially. They can be easily generated in cold atomic physics using finite-size optical lattice, and provide a new kind…
A recipe on how to engineer a band gap in the energy spectrum for the carriers in graphene is conveyed. It is supported by a series of numerical simulations inspired by an analytical result based on the opening of a band gap in periodically…
The design and development of new photonic devices for technological applications requires a deep understanding of the effect of structural properties on the resulting band gap size and its position. Here, we perform a theoretical study of…
Using full-potential density functional calculations within local density approximation (LDA), we predict that mechanically tunable band-gap and quasi-particle-effective-mass are realizable in graphene/hexagonal-BN hetero-bilayer (C/h-BN…
Graphene has shown great application potentials as the host material for next generation electronic devices. However, despite its intriguing properties, one of the biggest hurdles for graphene to be useful as an electronic material is its…
Recently, evidences of superconductivity (SC) with onset $T_c$ above the McMillan limit have been detected in the La$_3$Ni$_2$O$_7$ ultrathin film grown on the LaSrAlO$_4$ substrate at ambient pressure. This progress opens a new era in the…
Using the GW approximation, we study the electronic structure of the recently synthesized hydrogenated graphene, named graphane. For both conformations, the minimum band gap is found to be direct at the $\Gamma$ point, and it has a value of…
The discovery of superconductivity at 203K in SH$_3$ is an important step toward higher values of $T_c$. Predictions based on state-of-the-art DFT for the electronic structure, including one preceding experimental confirmation, showed the…
From first principles calculations, we investigate the stability and physical properties of single layer h-BN sheet chemically functionalized by various groups viz. H, F, OH, CH3, CHO, CN, NH2 etc. We find that full functionalization of…
We calculate the photonic band structure at normal incidence of highly deformable, self-assembling systems - cholesteric elastomers subjected to external stress. Cholesterics display brilliant reflection and lasing owing to gaps in their…
Using first-principles calculations combined with a semi-empirical van der Waals dispersion correction, we have investigated structural parameters, mixing enthalpies, and band gaps of buckled and planar few-layer In$_x$Ga$_{1-x}$N alloys.…
We report on the precise determination of both the band gap E$_\text{g}$, and the characteristic energy $U$ of the band tail of localized defect states, for monocrystalline Ag$_2$ZnSnSe$_4$. Both photoluminescence excitation and…
A spatial quantum model of spontaneous parametric down-conversion in nonlinear layered structures is developed expanding the interacting vectorial fields into monochromatic plane waves. A two-photon spectral amplitude depending on the…