in this research, the interactions of hcn gas with pristine, ga-, n- and gan-doped of boron phosphide nanotube (bpnts) were investigated by using density function theory (dft). the structure, electrical and nqr parameters, quantum descriptors involving energy gap, global hardness, global softness, electrophilicity, electronic chemical potential and electronegativity were calculated. the adsorpt...

In this research, the interactions of HCN gas with pristine, Ga-, N- and GaN-doped of boron phosphide nanotube (BPNTs) were investigated by using density function theory (DFT). The structure, electrical and NQR parameters, quantum descriptors involving energy gap, global hardness, global softness, electrophilicity, electronic chemical potential and electronegativity were calculated. The adsorpt...

Using first-principles theory, we predict ferromagnetism in Cr-doped GaN nanowires irrespective of the sites that the Cr atoms occupy. This is in contrast to Mn-doped GaN nanowires in which the magnetic coupling between the Mn atoms is sensitive to the Mn--Mn and Mn--N distances, although the ground state of Mn-doped GaN nanowires is ferromagnetic. Each Cr atom carries a magnetic moment of abou...

The e ects of impurity atoms as well as various growth methods to the formation of vacancy type defects in gallium nitride (GaN) have been studied by positron annihilation spectroscopy. It is shown that vacancy defects are formed in Ga or N sublattices depending on the doping of the material. Vacancies are decorated with impurity atoms leading to the compensation of the free carriers of the sam...

Manuscript received September 27, 1999. Manuscript revised October 20, 1999. † The authors are with NTT Cyber Space Laboratories, Musashino-shi, 180-8585 Japan. a) E-mail: [email protected] SUMMARY We studied Si and Mg doping characteristics in cubic GaN and fabricated a light emitting diode of cubic GaN on a GaAs substrate by metalorganic vapor-phase epitaxy. The diode structure con...

We report here, the results of molecular dynamics simulation of p-doped (Ga-face)GaN over n-doped (Siface)(0001)4H-SiC hetero-epitaxial material system with one-layer each of Ga-flux and (Al-face)AlN, as the interface materials, in the form of, the total Density of States (DOS). It is found that the total DOS at the Fermi-level for the heavily p-doped (Ga-face)GaN and ndoped (Si-face)4H-SiC het...

Changes in electrical as well as surface composition such as chemical and electronic properties of Mg-doped p-type GaN by phosphorus implanting are systematically investigated using Hall effect and X-ray photoelectron spectroscopy (XPS) measurements. It is shown that p-type conductivity of Mg-doped GaN can be improved by implanting P atoms after a proper post-implantation annealing treatment, p...

Single-crystal n-type GaN nanowires have been grown epitaxially on a Mg-doped p-type GaN substrate. Piezoelectric nanognerators based on GaN nanowires are investigated by conductive AFM, and the results showed an output power density of nearly 12.5 mW/m(2). Luminous LED modules based on n-GaN nanowires/p-GaN substrate have been fabricated. CCD images of the lighted LED and the corresponding ele...

We have performed an in-situ depth profile study of Mn-doped GaN prepared by a low temperature thermal diffusion method using photoemission and x-ray absorption spectroscopy. It was revealed from the core-level pho-toemission measurements that Mn ions are diffused into a deep (∼ 70Å) region of the GaN substrates and that the line shapes of Mn 3d partial density of states obtained by resonant ph...

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