in this work facile sol-gel (pechni) method has been successfully established to synthesize zn4b6o13 nanocrystals which have cubic crystals with lattice parameter: a =7.48 a. the structure and morphology of the obtained material were studied by x-ray diffraction (xrd), infrared spectra (ir), scanning electron microscopy (sem) and photoluminescence analysis. the experimental results show a band ...

A specific structure of doped graphene with substituted silicon impurity is introduced and ab initio density-functional approach is applied for the energy band structure calculation of the proposed structure. Using the band structure calculation for different silicon sites in the host graphene, the effect of silicon concentration and unit cell geometry on the bandgap of the proposed structure i...

The band-gap energy and the band line-up of InGaAlAs quaternary compound material on InP are essential information for the theoretical study of physical properties and the design of optoelectronics devices operating in the long-wavelength communication window. The bandgap interpolation of In1 − x − yGaxAlyAs on InP is known to be a challenging task due to the observed discrepancy of experimenta...

A systematic investigation on electronic band structure of a series of isoreticular metal−organic frameworks (IRMOFs) using density functional theory has been carried out. Our results show that halogen atoms can be used as functional groups to tune not only the band gap but also the valence band maximum (VBM) in MOFs. Among halogen atoms (F, Cl, Br, I), iodine is the best candidate to reduce th...

We use two different ab initio quantum mechanics methods, complete active space self-consistent field theory applied to electrostatically embedded clusters and periodic many-body G0W0 calculations, to reanalyze the states formed in nickel(II) oxide upon electron addition and ionization. In agreement with interpretations of earlier measurements, we find that the valence and conduction band edges...

New phenomena arise in single-crystal semiconductors when these are fabricated in very thin sheets, with thickness at the nanometer scale. We review recent research on Si and Ge nanomembranes, including the use of elastic strain sharing, layer release, and transfer, that demonstrate new science and enable the fabrication of materials with unique properties. Strain engineering produces new strai...

We describe the lithographic control over the spectral response of three-dimensional photonic crystals. By precise microfabrication of the geometry using a reproducible and reliable procedure consisting of electron beam lithography followed by dry etching, we have shifted the conduction band of crystals within the near-infrared. Such microfabrication has enabled us to reproducibly define photon...

 The two-dimensional structure of graphene, consisting of an isotropic hexagonal lattice of carbon atoms, shows fascinating electronic properties, such as a gapless energy band and Dirac fermion behavior of electrons at fermi surface. Anisotropy can be induced in this structure by electrochemical pressure. In this article, by using tight-binding method, we review anisotropy effects in the elect...