An evaluation algorithm for the determination of the chemical composition of strained hexagonal epitaxial films is presented. This algorithm is able to separate the influence of strain and composition on the lattice parameters measured by x-ray diffraction. The measurement of symmetric and asymmetric reflections delivers the strained lattice parameters a and c of hexagonal epitaxial films. These lattice parameters are used to calculate the relaxed lattice parameters employing the theory of elasticity. From the relaxed parameters, the chemical composition of the epitaxial film can be determined by Vegard's rule. The algorithm has been applied to InGaN/GaN/Al2O3(00.1) heterostructures.

A growth diagram for molecular beam epitaxy of AlN on sapphire and 6H–SiC was established using reflection high energy electron diffraction, atomic force microscopy, and Rutherford backscattering spectrometry. In varying the Al/N ratio and growth temperature, distinctive surface morphologies emerge, which are assigned to three regimes of growth, one N-rich (Al/N<1) and two Al-rich (Al/N>1) regimes. Under N-rich conditions, AlN films exhibit rough surface morphologies. In contrast, Al-rich conditions produce excellent smooth surface morphologies, but with the constraint of Al droplet formation at very high Al/N ratios and low temperatures. The differentiation between N-rich and Al-rich regimes is given only by the Al/N ratio, while the two Al-rich regimes (intermediate self-regulated and droplet regime) are separated by the boundary line of Al droplet formation. For this boundary an Arrhenius dependence of growth temperature was found, yielding an activation energy of 3.4±0.1 eV. The observed morphology transitions are attributed to varying surface adatom mobilities present under the different Al/N ratios.

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The influence of the deposition temperature during the reactive sputtering process on the microstructure of thin Ir and IrO2 films deposited on oxidized Si substrates was investigated and related to the oxygen barrier effectiveness. For this purpose differential thermal analysis combined with residual gas analysis by mass spectrometry was used for the investigation of the microstructural and chemical behavior of the as-sputtered IrO2 films upon heating. Moreover, in situ stress relaxation analyses up to 900 °C, in and ex situ x-ray diffraction measurements were done for various annealing conditions. The investigated polycrystalline IrO2 films exhibited a large compressive stress and a distorted lattice due to the sputter deposition process. It is demonstrated that a high deposition temperature involves a delayed relaxation of the IrO2 grains which is causing an extrinsic, enhanced defect controlled oxygen mobility for the annealing temperatures below the recrystallization. The well-known low intrinsic oxygen diffusivity was only found in those samples which show—in addition to the recovery process—a recrystallization at low temperatures and thus a formation and growth of a new generation of grains with a lattice spacing as in bulk IrO2. Moreover, the oxygen diffusion in Ir films was investigated and the oxygen was found to penetrate the Ir films very quickly at elevated temperatures. The microstructure of the films was investigated by cross sectional transmission electron microscopy and it is shown that the cold-sputtered columnar IrO2 films protect the underlying layers from oxidation during a 700 °C high temperature oxygen anneal with an optimized Ir/IrO2 oxygen barrier stack.

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A dynamical LEED intensity analysis is reported for Cu(001)-c(2 × 2)-Pb. The adsorbate layer distance from the substrate is determined as 2.29 A, and the topmost interlayer spacing for the substrate is the same as in bulk Cu, in contrast to a contraction for clean Cu(001). This structural result is, within the accuracy reached, insensitive to changes in the assumed scattering potential models. The r-factors suggest a weak preference for an energy-dependent exchange correlation and a moderate one for adding a localized adsorption part inside the muffin-tin spheres. The sensitivity of spectra and r-factors to chal~ges in the assumed isotropic Debye temperature for Pb suggests that vibrational anisotropy should be taken into account in order to improve the accuracy of the analysis. Calculated spin polarization spectra are very sensitive to the exchange approximation, the localized absorption and the Debye temperature. Together with experimental data, they should be useful in particular for determining the vibrational anisotropy.

From results of a scanning-tunneling-mieroscopy study we show that, on Pt(lOO), (i) boundaries between different rotational domains of the hexagonal reconstruction only occur at steps and (ii) neither the step direction nor (iii) the orientation of the respective neighbored domain dictates the direction of the reconstructed domain. The domain-domain and domain-step interactions decrease in the same order; their magnitude and the activation energy for reorientation of domains is related to a structural transition of this surface at 1100 K.

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