Mapping the Structure of Oxygen-Doped Wurtzite Aluminum Nitride Coatings from Random Structure Search and Experiments.

Machine learning is changing how we design and interpret experiments in materials science. In this work, we show how unsupervised learning, combined with random structure searching, improves our understanding of structural metastability in multicomponent alloys. We focus on the case of Al-O-N alloys where the formation of aluminum vacancies in wurtzite AlN upon the incorporation of substitutional oxygen can be seen as a general mechanism of solids where crystal symmetry is reduced to stabilize defects.

Silicon etch with chromium ions generated by a filtered or non-filtered cathodic arc discharge.

The pre-treatment of substrate surfaces prior to deposition is important for the adhesion of physical vapour deposition coatings. This work investigates Si surfaces after the bombardment by energetic Cr ions which are created in cathodic arc discharges. The effect of the pre-treatment is analysed by X-ray diffraction, Rutherford backscattering spectroscopy, scanning electron microscopy and in-depth X-ray photoemission spectroscopy and compared for Cr vapour produced from a filtered and non-filtered cathodic arc discharge.

One-dimensional to three-dimensional ripple-to-dome transition for SiGe on vicinal Si (1 1 10).

SiGe heteroepitaxy on vicinal Si (1 1 10) is studied as a model system for one-dimensional (1D) to three-dimensional growth mode transitions. By in situ scanning tunneling microscopy it is shown that the 1D-3D transition proceeds smoothly from perfectly facetted 1D nanoripples to coarsened superripples, tadpoles, asymmetric domes, and barns without involving coalescence or agglomeration. By extension of the studies to a wide range of SiGe compositions, a 1D-3D growth phase diagram is obtained.

Monolithic growth of ultrathin Ge nanowires on Si(001).

Self-assembled Ge wires with a height of only 3 unit cells and a length of up to 2 micrometers were grown on Si(001) by means of a catalyst-free method based on molecular beam epitaxy. The wires grow horizontally along either the [100] or the [010] direction. On atomically flat surfaces, they exhibit a highly uniform, triangular cross section.

Formation of Ge nanoripples on vicinal Si (1110): from Stranski-Krastanow seeds to a perfectly faceted wetting layer.

Ge growth on high-indexed Si (1110) is shown to result in the spontaneous formation of a perfectly {105} faceted one-dimensional nanoripple structure. This evolution differs from the usual Stranski-Krastanow growth mode because from initial ripple seeds a faceted Ge layer is formed that extends down to the heterointerface. Ab initio calculations reveal that ripple formation is mainly driven by lowering of surface energy rather than by elastic strain relief and the onset is governed by the edge energy of the ripple facets.