Structure and Electronic Properties of Saturated and Unsaturated Gallium Nitride Nanotubes

The atomic and electronic structures of saturated and unsaturated GaN nanotubes along the [001] direction with (100) lateral facets are studied using first-principles calculations. Atomic relaxation of nanotubes shows that appreciable distortion occurs in the unsaturated nanotubes. All the nanotubes considered, including saturated and unsaturated ones, exhibit semiconducting, with a direct band gap Surface states arisen from the 3-fold-coordinated N and Ga atoms at the lateral facets exist inside the bulklike band gap. When the nanotubes are saturated with hydrogen, these dangling bond bands are removed from the band gap, but the band gap decreases with increasing the wall thickness of the nanotubes.

Depth dependent elastic strain in ZnO epilayer: combined Rutherford backscattering/channeling and X-ray diffraction

A ZnO layer was grown by metalorganic chemical vapor deposition (MOCVD) on a sapphire (0 0 0 1) substrate. The perpendicular and parallel elastic strain of the ZnO epilayer, e(perpendicular to) = 0.19%, e(parallel to) = -0.29%, respectively, were derived by using the combination of Rutherford backscattering (RBS)/channeling and X-ray diffraction (XRD). The ratio vertical bar e(parallel to)/ e(perpendicular to)vertical bar = 1.5 indicates that ZnO layer is much stiffer in the a-axis direction than in the c-axis direction. By using RBS/C, the depth dependent elastic strain was deduced. The strain is higher at the depth close to the interface and decreases towards the surface. The negative tetragonal distortion was explained by considering the lattice mismatch and thermal mismatch in ZnO thin film. (c) 2004 Elsevier B.V. All rights reserved.

Depth distribution of the strain in the GaN layer with low-temperature AlN interlayer on Si(111) substrate studied by Rutherford backscattering/channeling

The depth distribution of the strain-related tetragonal distortion e(T) in the GaN epilayer with low-temperature AlN interlayer (LT-AlN IL) on Si(111) substrate is investigated by Rutherford backscattering and channeling. The samples with the LT-AlN IL of 8 and 16 nm thickness are studied, which are also compared with the sample without the LT-AlN IL. For the sample with 16-nm-thick LT-AlN IL, it is found that there exists a step-down of e(T) of about 0.1% in the strain distribution. Meanwhile, the angular scan around the normal GaN <0001> axis shows a tilt difference about 0.01degrees between the two parts of GaN separated by the LT-AlN IL, which means that these two GaN layers are partially decoupled by the AlN interlayer. However, for the sample with 8-nm-thick LT-AlN IL, neither step-down of e(T) nor the decoupling phenomenon is found. The 0.01degrees decoupled angle in the sample with 16-nm-thick LT-AlN IL confirms the relaxation of the LT-AlN IL. Thus the step-down of e(T) should result from the compressive strain compensation brought by the relaxed AlN interlayer. It is concluded that the strain compensation effect will occur only when the thickness of the LT-AlN IL is beyond a critical thickness. (C) 2004 American Institute of Physics.