Abstract: In this study, using density functional theory and the SIESTA computationalcode, we investigate the electronic and optical properties of the armchair graphenenanoribbons and the armchair boron nitride nanoribbons of width 25 in the presence of atransverse external electric field. We have observed that in the absence of the electricfield, these structures are se...

to investigate the electromagnetic interaction of molecules inside the nanotubes, first, the structure of nanotubes b16n16 was optimized with hybrid density functional theory (b3lyp) using the epr-ii basis set, then cu, cu+, cu++ were located in nanotube and we studied the total energy, band gap energy, electrical potential, changes of band gap energy in terms of total energy and dipole moment ...

An experimental demonstration of a dynamic decrease of the optical band gap of bulk n-InSb induced by picosecond, midinfrared laser pulses is reported. This occurs as a result of laser heating of the quiescent electron distribution by free-carrier absorption. The hot electrons vacate low-energy states near the conductionband minimum, unblocking terminal states for two-photon absorption across t...

Due to the compatibility with the well-developed Si-based semiconductor industry, there is considerable interest in developing silicon structures with direct energy band gaps for effective sunlight harvesting. In this paper, using silicon triangles as the building block, we propose a new silicon allotrope with a direct band gap of 0.61 eV, which is dynamically, thermally and mechanically stable...

We study the dispersion and leakage properties for the recently reported low-loss photonic band-gap fiber by Smith et al. [Nature 424, 657 (2003)]. We find that surface modes have a significant impact on both the dispersion and leakage properties of the fundamental mode. Our dispersion results are in qualitative agreement with the dispersion profile reported recently by Ouzounov et al. [Science...