High-resolution XEOL spectroscopy setup at the X-ray absorption spectroscopy beamline P65 of PETRA III.

A newly designed setup to perform steady-state X-ray excited optical luminescence (XEOL) spectroscopy and simultaneous XEOL and X-ray absorption spectroscopy characterization at beamline P65 of PETRA III is described. The XEOL setup is equipped with a He-flow cryostat and state-of-the-art optical detection system, which covers a wide wavelength range of 300-1700 nm with a high spectral resolution of 0.4 nm. To demonstrate the setup functioning, low-temperature XEOL studies on polycrystalline CuInSe2 thin film, single-crystalline GaN thin film and single-crystalline ZnO bulk semiconductor samples are performed.

Structural and electronic contributions to the bandgap bowing of (In,Ga)P alloys.

The variation of atomic configurations and their corresponding structural parameters, such as first nearest neighbor distances, is a characteristic feature of ternary semiconductor alloys with zincblende structure. It has a strong influence on important material properties, most prominently the bandgap energy, and can contribute to a nonlinear behavior with changing alloy composition. Using (In,Ga)P as a model system, the atomic-scale structure has been modeled for all possible first nearest neighbor configurations based on experimentally determined structural parameters. While the average position of the P anion corresponds to the ideal lattice site, the average distance from this ideal lattice site does not vanish even in the random alloy. Based on this average anion displacement, the contribution to the bandgap bowing caused by structural relaxation of the alloy was calculated over the whole compositional range. Furthermore, the bowing contribution arising from the overall change of the In-P and Ga-P distances with respect to the binary values was determined. Thus, a clear distinction between the bandgap bowing caused by structural effects on the one hand and by charge redistribution on the other hand is possible.

Temperature-dependent EXAFS analysis of embedded Pt nanocrystals.

The vibrational and thermal properties of embedded Pt nanocrystals (NCs) have been investigated with temperature-dependent extended x-ray absorption fine structure (EXAFS) spectroscopy. NCs of diameter 1.8-7.4 nm produced by ion implantation in amorphous SiO(2) were analysed over the temperature range 20-295 K. An increase in Einstein temperature (∼194 K) relative to that of a Pt standard (∼179 K) was evident for the smallest NCs while those larger than ∼2.0 nm exhibited values comparable to bulk material. Similarly, the thermal expansion of interatomic distances was lowest for small NCs. While the amorphous SiO(2) matrix restricted the thermal expansion of interatomic distances, it did not have a significant influence on the mean vibrational frequency of embedded Pt NCs. Instead, the latter was governed by finite-size effects or, specifically, capillary pressure.

Fine structure in swift heavy ion tracks in amorphous SiO2.

We report on the observation of a fine structure in ion tracks in amorphous SiO2 using small angle x-ray scattering measurements. Tracks were generated by high energy ion irradiation with Au and Xe between 27 MeV and 1.43 GeV. In agreement with molecular dynamics simulations, the tracks consist of a core characterized by a significant density deficit compared to unirradiated material, surrounded by a high density shell. The structure is consistent with a frozen-in pressure wave originating from the center of the ion track as a result of a thermal spike.