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The interaction of microstructure defects is regarded as a possible tool for the reduction of the defect density and improvement of the crystal quality. In this study, this general approach is applied to reduce the density of threading dislocations in GaN crystals grown using high-temperature vapor phase epitaxy directly on (0001)-oriented sapphire substrates. The GaN crystals under study were deposited in three steps with different process temperatures, growth rates, and ammonia flows. The first GaN layer accommodates the lattice misfit between sapphire and gallium nitride. Thus, it contains a high number of randomly distributed threading dislocations. The next GaN layer, which is internally structured and defect-rich, bends and bunches these dislocations and facilitates their annihilation. The uppermost GaN layer mainly contains bunched threading dislocations terminating large areas of almost defect-free GaN. In order to be able to visualize and to quantify the microstructure changes in individual parts of the sandwich-like structure, the samples were investigated using nanofocused synchrotron diffraction, confocal micro-Raman spectroscopy, and transmission electron microscopy. The transmission electron microscopy provided information about the kind of microstructure defects and their mutual interaction. The synchrotron diffraction and the micro-Raman spectroscopy revealed the depth profiles of dislocation density and lattice parameters. [ABSTRACT FROM AUTHOR]

The fabrication and characterization of an Au-free Ti/Al/TiN (20/100/100 nm) contact stack to unintentionally doped n-GaN with TiN serving as the diffusion barrier is presented. Sputter deposition and lift-off in combination with post deposition annealing at 850 °C are used for contact formation. After annealing, contact shows ohmic behavior to n-GaN and a specific contact resistivity of 1.60 × 10-3 X cm2. To understand the contact formation on the microscopic scale, the contact was characterized by current-voltage measurements, linear transmission line method, X-ray diffraction, transmission electron microscopy, and X-ray photoelectron spectroscopy. The results show the formation of Ti-N bonds at the GaN/Ti interface in the as-deposited stack. Annealing leads to diffusion of Ti, Al, Ga, and N, and the remaining metallic Ti is fully consumed by the formation of the intermetallic tetragonal Al3Ti phase. Native oxide from the GaN surface is trapped during annealing and accumulated in the Al interlayer. The TiN capping layer, however, was chemically stable during annealing. It prevented oxidation of the Ti/Al contact bilayer successfully and thus proved to be a well suitable diffusion barrier with ideal compatibility to the Ti/Al contact metallization. [ABSTRACT FROM AUTHOR]

Abstract: The influence of the microstructure of the as-deposited cathodic arc evaporated Ti1-xAlxN coatings and, in particular, the influence of the intrinsic lattice strains on their thermal stability were investigated by in-situ synchrotron high temperature glancing angle X-ray diffraction (HT-GAXRD) experiments up to 850°C. The microstructure of the as-deposited coatings was adjusted by the bias voltage (UB =−40V, UB =−80V and UB =−120V) and by the [Al]/([Ti]+[Al]) ratio (0.4, 0.5 and 0.6) of the used Ti–Al targets. The microstructure evolution during annealing was described in terms of the phase composition of the coatings, the aluminium content, aluminium distribution and residual lattice strains in fcc-(Ti,Al)N. Independent of the deposition parameters ([Al]/([Ti]+[Al]) ratio and bias voltage), all coatings contained a mixture of fcc-(Ti,Al)N, fcc-AlN and w-AlN after annealing at 850°C. The [Al]/([Ti]+[Al]) ratio was found to control the amount of fcc-(Ti,Al)N, whereas the bias voltage was mainly responsible for the relative amount of fcc-AlN and w-AlN. Finally, the interplay between lattice strains and the kinetics of the spinodal decomposition of fcc-(Ti,Al)N was illustrated. [Copyright &y& Elsevier]

Hematite (α-Fe 2 O 3 ) catalysts prepared using the precipitation methods was found to be highly effective, and therefore, it was studied with methane (CH 4 ), showing an excellent stable performance below 500 °C. This study investigates hematite nanoparticles (NPs) obtained by precipitation in water from the precursor of ferric chloride hexahydrate using precipitating agents NaOH or NH 4 OH at maintained pH 11 and calcined up to 500 °C for the catalytic oxidation of low concentrations of CH 4 (5% by volume in air) at 500 °C to compare their structural state in a CH 4 reducing environment. The conversion (%) of CH 4 values decreasing with time was discussed according to the course of different transformation of goethite and hydrohematites NPs precursors to magnetite and the structural state of the calcined hydrohematites. The phase composition, the size and morphology of nanocrystallites, thermal transformation of precipitates and the specific surface area of the NPs were characterized in detail by X-ray powder diffraction, transmission electron microscopy, infrared spectroscopy, thermal TG/DTA analysis and nitrogen physisorption measurements. The results support the finding that after goethite dehydration, transformation to hydrohematite due to structurally incorporated water and vacancies is different from hydrohematite α-Fe 2 O 3 . The surface area S BET of Fe 2 O 3 _NH-70 precipitate composed of protohematite was larger by about 53 m 2 /g in comparison with Fe 2 O 3 _Na-70 precipitate composed of goethite. The oxidation of methane was positively influenced by the hydrohematites of the smaller particle size and the largest lattice volume containing structurally incorporated water and vacancies.

Yb 3 Co 4 Ge 13 is the first example of a Remeika phase with a 3 D + 3 [space group P 4̄3 n ( α ,0,0)000(0, α ,0)000(0,0, α )000; a = 8.72328(1) Å, α = 0.4974(2)] modulated crystal structure. A slight shift of the composition towards higher Yb-content ( i.e. Yb 3.2 Co 4 Ge 12.8 ) leads to the disappearance of the satellite reflections and stabilization of the disordered primitive cubic [space group Pm 3̄ n , a = 8.74072(2) Å] Remeika prototype structure. The stoichiometric structurally modulated germanide is a metal with hole-like charge carriers, where Yb-ions are in a temperature-dependent intermediate valence state varying from +2.60 to +2.66 for the temperature range 85-293 K. The valence fluctuations have been investigated by means of temperature dependent X-ray absorption spectroscopy, magnetic susceptibility and thermopower measurements.

The design of new composite materials using extreme biomimetics is of crucial importance for bioinspired materials science. Further progress in research and application of these new materials is impossible without understanding the mechanisms of formation, as well as structural features at the molecular and nano-level. It presents a challenge to obtain a holistic understanding of the mechanisms underlying the interaction of organic and inorganic phases under conditions of harsh chemical reactions for biopolymers. Yet, an understanding of these mechanisms can lead to the development of unusual-but functional-hybrid materials. In this work, a key way of designing centimeter-scale macroporous 3D composites, using renewable marine biopolymer spongin and a model industrial solution that simulates the highly toxic copper-containing waste generated in the production of printed circuit boards worldwide, is proposed. A new spongin-atacamite composite material is developed and its structure is confirmed using neutron diffraction, X-ray diffraction, high-resolution transmission electron microscopy/selected-area electron diffraction, X-ray photoelectron spectroscopy, near-edge X-ray absorption fine structure spectroscopy, and electron paramagnetic resonance spectroscopy. The formation mechanism for this material is also proposed. This study provides experimental evidence suggesting multifunctional applicability of the designed composite in the development of 3D constructed sensors, catalysts, and antibacterial filter systems., (© 2021 The Authors. Advanced Materials published by Wiley-VCH GmbH.)