相关论文: Bandgap engineering of Cd1-xSrxO
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…
The structural details in Pr1-xSrxFeAsO (1111) superconducting system are analyzed using data obtained from synchrotron X-ray diffraction and the structural parameters are carefully studied as the system is moving from non-superconducting…
Recently cycloarene has been experimentally obtained in a self-assembled structure, forming graphene-like monoatomic layered systems. Here, we establish the bandgap engineering/prediction in cycloarene assemblies within a combination of…
Search for efficient materials for application in the fields of optoelectronics and photovoltaics are active areas of research across the world. The potential of compounds such as K${_3}$Cu${_3}$P${_2}$ is not yet fully realized. Therefore,…
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…
Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS…
We investigate the evolution of the electronic structure in SrRu_(1-x)Ti_xO_3 as a function of x using high resolution photoemission spectroscopy, where SrRuO3 is a weakly correlated metal and SrTiO3 is a band insulator. The surface spectra…
Beyond-diffraction-limit optical absorption spectroscopy provides profound information on the graded band structures of composition-spread and stacked two-dimensional materials, in which direct/indirect bandgap, interlayer coupling,…
The vacancy-ordered double perovskites (VODP) are emerging materials for the renewable energy because of their extraordinary stability. In the present work, we have addressed the structural, electronic and optical properties of the…
We have made a high-resolution photoemission study of La2-xSrxCuO4 in a wide hole concentration (x) range from a heavily overdoped metal to an undoped insulator. As x decreases, the spectral density of states at the chemical potential (\mu)…
The optical properties of BAlN and BGaN ternary alloys are investigated using first-principle calculation. Hybrid density functional theory is applied to determine the refractive indices of different alloys. A peculiar non-linear behavior…
Significant efficiency droop is a major concern for light-emitting diodes and laser diodes operating at high current density. Recent study has suggested that heavily Bi-alloyed GaAs can decrease the non-radiative Auger recombination and…
The structural and microstructural properties of the Sm(Fe1-xRux)As(O0.85F0.15) system were investigated by means of high-resolution synchrotron X-ray powder diffraction between 10 K and 300 K. The tetragonal to orthorhombic structural…
The optical response functions and band structures of LiCoO$_2$ are studied at different levels of approximation, from density functional theory (DFT) in the generalized gradient approximation (GGA) to quasiparticle self-consistent QS$GW$…
La-doped ASnO3 (A = Ba, Sr) have great potential as advanced transparent oxide semiconductors due to their large optical bandgap and relatively high electron mobility. The bandgap of Ba1-xSrxSnO3 solid solution increases from 3.2 eV…
The consequences of dynamical screening of Coulomb interaction among correlated electrons in realistic materials have not been widely considered before. In this letter we try to incorporate a frequency dependent Coulomb interaction into the…
We present a comprehensive analysis of the X-ray observations obtained from \xmm\, and \chandra\, for a sample of bona-fide Compact Symmetric Objects (CSOs) to investigate their X-ray emission properties. Ultimately, we obtain 32 effective…
We have investigated the electronic structure of Ba3InIr2O9 within the density-functional theory (DFT) using the generalized gradient approximation while considering strong Coulomb correlations (GGA+$U$) in the framework of the fully…
Accurate and efficient calculation of optical response properties of solid materials is still challenging. We present a meta-generalized gradient approximation (metaGGA) density functional based time-dependent and dielectric function…
First principles density functional calculations within the local spin density approximation (LSDA) and the generalized gradient approximation (GGA) are reported for pyrochlore Cd$_2$Os$_2$O$_7$ and Cd$_{2}$Re$_{2}$O$_7$. The transition…