Band gap bowing in NixMg1-xO.

Epitaxial transparent oxide NixMg1-xO (0 ≤ x ≤ 1) thin films were grown on MgO(100) substrates by pulsed laser deposition. High-resolution synchrotron X-ray diffraction and high-resolution transmission electron microscopy analysis indicate that the thin films are compositionally and structurally homogeneous, forming a completely miscible solid solution. Nevertheless, the composition dependence of the NixMg1-xO optical band gap shows a strong non-parabolic bowing with a discontinuity at dilute NiO concentrations of x  0.074 and account for the anomalously large band gap narrowing in the NixMg1-xO solid solution system

Young's modulus, Poisson's ratio, and residual stress and strain in (111)-oriented scandium nitride thin films on silicon

Epitaxial scandium nitride films (225 nm thick) were grown on silicon by molecular beam epitaxy, using ammonia as a reactive nitrogen source. The main crystallographic orientation of ScN with respect to Si is (111)(ScN)parallel to(111)(Si) and [1-10](ScN)parallel to[0-11](Si); however, some twinning is also present in the films. The films displayed a columnar morphology with rough surfaces, due to low adatom mobility during growth. The strain-free lattice parameter of ScN films grown under optimized conditions was found to be 4.5047 +/- 0.0005 A, as determined using high-resolution x-ray diffraction (HRXRD). In-plane and out-of-plane strains were subsequently evaluated using HRXRD and were used to determine the Poisson ratio of ScN along the direction, which is found to be 0.188 +/- 0.005. Wafer curvature measurements were made and combined with the strain information to determine the average Young's modulus of the films, which is found to be 270 +/- 25 GPa. Residual film stresses ranged from -1 to 1 GPa (depending on film growth temperature and film thickness) due to competition between the tensile stress (induced by the differential thermal contraction between the ScN film and the Si substrate) and intrinsic compressive stresses generated during growth

Segregation of in to dislocations in InGaN

Dislocations are one-dimensional topological defects that occur frequently in functional thin film materials and that are known to degrade the performance of InxGa1-xN-based optoelectronic devices. Here, we show that large local deviations in alloy composition and atomic structure are expected to occur in and around dislocation cores in InxGa1-xN alloy thin films. We present energy-dispersive X-ray spectroscopy data supporting this result. The methods presented here are also widely applicable for predicting composition fluctuations associated with strain fields in other inorganic functional material thin films

Dislocation core structures in (0001) InGaN

Threading dislocation core structures in c-plane GaN and InxGa1−xN (0.057 ≤ x ≤ 0.20) films were investigated by aberration-corrected scanning transmission electron microscopy. a-type dislocations are unaffected by alloying with indium and have a 5/7-atom ring core structure in both GaN and InxGa1−xN. In contrast, the dissociation lengths of (a + c)-type dislocations are reduced, and new 7/4/9-atom ring and 7/4/8/5-atom ring core structures were observed for the dissociated (a + c)-type dislocations in InxGa1−xN, which is associated with the segregation of indium near (a + c)-type and c-type dislocation cores in InxGa1−xN, consistent with predictions from atomistic Monte Carlo simulations.This work was funded in part by the Cambridge Commonwealth Trust, St. John’s College and the EPSRC (grant number EP/I012591/1). MAM acknowledges support from the Royal Society through a University Research Fellowship. Additional support was provided by the EPSRC (Supplementary data for EPSRC [49] is available) through the UK National Facility for Aberration-Corrected STEM (SuperSTEM). The Titan 80-200kV ChemiSTEM™ was funded through HM Government (UK) and is associated with the capabilities of the University of Manchester Nuclear Manufacturing (NUMAN) capabilities. SJH acknowledges funding from the Defence Threat Reduction Agency (DTRA) USA (grant number HDTRA1-12-1-0013). The authors also acknowledge C. M. McGilvery and A. Kovacs for helpful discussions.This is the author accepted manuscript. It is currently under an indefinite embargo pending publication by AIP

Optical and structural properties of dislocations in InGaN

Threading dislocations in thick layers of InxGa1−xN (5% < x < 15%) have been investigated by means of cathodoluminescence, time-resolved cathodoluminescence, and molecular dynamics. We show that indium atoms segregate near dislocations in all the samples. This promotes the formation of In-N-In chains and atomic condensates, which localize carriers and hinder nonradiative recombination at dislocations. We note, however, that the dark halo surrounding the dislocations in the cathodoluminescence image becomes increasingly pronounced as the indium fraction of the sample increases. Using transmission electron microscopy, we attribute the dark halo to a region of lower indium content formed below the facet of the V-shaped pit that terminates the dislocation in low composition samples (x < 12%). For x > 12%, the facets of the V-defect featured dislocation bundles instead of the low indium fraction region. In this sample, the origin of the dark halo may relate to a compound effect of the dislocation bundles, of a variation of surface potential, and perhaps, of an increase in carrier diffusion length.ER-C Lindemann Trust Fellowshi

Mg Doping Affects Dislocation Core Structures in GaN

Aberration-corrected scanning transmission electron microscopy was used to investigate the core structures of threading dislocations in undoped GaN films with both high and low dislocation densities, and in a comparable high dislocation density Mg-doped GaN film. All a-type dislocations in all samples have a 5/7-atom core structure. In contrast, most (a + c)-type dislocations in undoped GaN dissociate due to local strain variations from nearby dislocations. In contrast, Mg doping prevents (a + c)-type dislocation dissociation. Our data indicate that Mg affects dislocation cores in GaN significantly