Global transition path search for dislocation formation in Ge on Si(001)

Global optimization of transition paths in complex atomic scale systems is addressed in the context of misfit dislocation formation in a strained Ge film on Si(001). Such paths contain multiple intermediate minima connected by minimum energy paths on the energy surface emerging from the atomic interactions in the system. The challenge is to find which intermediate states to include and to construct a path going through these intermediates in such a way that the overall activation energy for the transition is minimal. In the numerical approach presented here, intermediate minima are constructed by heredity transformations of known minimum energy structures and by identifying local minima in minimum energy paths calculated using a modified version of the nudged elastic band method. Several mechanisms for the formation of a 90{\deg} misfit dislocation at the Ge-Si interface are identified when this method is used to construct transition paths connecting a homogeneously strained Ge film and a film containing a misfit dislocation. One of these mechanisms which has not been reported in the literature is detailed. The activation energy for this path is calculated to be 26% smaller than the activation energy for half loop formation of a full, isolated 60{\deg} dislocation. An extension of the common neighbor analysis method involving characterization of the geometrical arrangement of second nearest neighbors is used to identify and visualize the dislocations and stacking faults

Nanostructured 3C-SiC on Si by a network of (111) platelets: a fully textured film generated by intrinsic growth anisotropy

In this paper, we address the unique nature of fully textured, high surface-to-volume 3C-SiC films, as produced by intrinsic growth anisotropy, in turn generated by the high velocity of the stacking fault growth front in two-dimensional (111) platelets. Structural interpretation of high resolution scanning electron microscopy and transmission electron microscopy data is carried out for samples grown in a hot-wall low-pressure chemical vapour deposition reactor with trichlorosilane and ethylene precursors, under suitable deposition conditions. By correlating the morphology and the X-ray diffraction analysis we also point out that twinning along (111) planes is very frequent in such materials, which changes the free-platelet configuration

Thermodynamic driving force in the formation of hexagonal-diamond Si and Ge nanowires

The metastable hexagonal-diamond phase of Si and Ge (and of SiGe alloys) displays superior optical properties with respect to the cubic-diamond one. Based on first-principle calculations we show that the surface energy of the typical facets exposed in Si and Ge nanowires is lower in the hexagonal-diamond phase than in the cubic one. By exploiting a synergic approach based also on a recent state-of-the-art interatomic potential and on a simple geometrical model, we investigate the relative stability of nanowires in the two phases up to few tens of nm in radius, highlighting the surface-related driving force and discussing its relevance in recent experiments. We also explore the stability of Si and Ge core-shell nanowires with hexagonal cores (made of GaP for Si nanowires, of GaAs for Ge nanowires). In this case, the stability of the hexagonal shell over the cubic one is also favored by the energy cost associated with the interface linking the two phases. Interestingly, our calculations indicate a critical radius of the hexagonal shell much lower than the one reported in recent experiments, indicating the presence of a large kinetic barrier allowing for the enlargement of the wire in a metastable phase

Ordered Arrays of SiGe Islands from Low-Energy PECVD

SiGe islands have been proposed for applications in the fields of microelectronics, optoelectronics and thermoelectrics. Although most of the works in literature are based on MBE, one of the possible advantages of low-energy plasma-enhanced chemical vapor deposition (LEPECVD) is a wider range of deposition rates, which in turn results in the possibility of growing islands with a high Ge concentration. We will show that LEPECVD can be effectively used for the controlled growth of ordered arrays of SiGe islands. In order to control the nucleation of the islands, patterned Si (001) substrates were obtained by e-beam lithography (EBL) and dry etching. We realized periodic circular pits with diameters ranging from 80 to 300 nm and depths from 65 to 75 nm. Subsequently, thin films (0.8–3.2 nm) of pure Ge were deposited by LEPECVD, resulting in regular and uniform arrays of Ge-rich islands. LEPECVD allowed the use of a wide range of growth rates (0.01–0.1 nm s−1) and substrates temperatures (600–750°C), so that the Ge content of the islands could be varied. Island morphology was characterized by AFM, while μ-Raman was used to analyze the Ge content inside the islands and the composition differences between islands on patterned and unpatterned areas of the substrate

Unveiling Planar Defects in Hexagonal Group IV Materials

Recently synthesized hexagonal group IV materials are a promising platform to realize efficient light emission that is closely integrated with electronics. A high crystal quality is essential to assess the intrinsic electronic and optical properties of these materials unaffected by structural defects. Here, we identify a previously unknown partial planar defect in materials with a type I 3 basal stacking fault and investigate its structural and electronic properties. Electron microscopy and atomistic modeling are used to reconstruct and visualize this stacking fault and its terminating dislocations in the crystal. From band structure calculations coupled to photoluminescence measurements, we conclude that the I 3 defect does not create states within the hex-Ge and hex-Si band gap. Therefore, the defect is not detrimental to the optoelectronic properties of the hex-SiGe materials family. Finally, highlighting the properties of this defect can be of great interest to the community of hex-III-Ns, where this defect is also present

Author Correction:In-plane selective area InSb–Al nanowire quantum networks (Communications Physics, (2020), 3, 1, (59), 10.1038/s42005-020-0324-4)

The Data availability statement of this article has been modified to add the accession link to the raw data. The old Data availability statement read “Materials and data that support the findings of this research are available within the paper. All data are available from the corresponding author upon request”. This has been replaced by “Materials and data that support the findings of this research are available within the paper. The raw data have been deposited at https://zenodo.org/record/4589484#.YEoEOy1Y7Sd”. This has been corrected in both the HTML and PDF version of the article.</p

Effectiveness of cardiac resynchronization therapy in heart failure patients with valvular heart disease: comparison with patients affected by ischaemic heart disease or dilated cardiomyopathy. The InSync/InSync ICD Italian Registry

AimsTo analyse the effectiveness of cardiac resynchronization therapy (CRT) in patients with valvular heart disease (a subset not specifically investigated in randomized controlled trials) in comparison with ischaemic heart disease or dilated cardiomyopathy patients.Methods and resultsPatients enrolled in a national registry were evaluated during a median follow-up of 16 months after CRT implant. Patients with valvular heart disease treated with CRT (n = 108) in comparison with ischaemic heart disease (n = 737) and dilated cardiomyopathy (n = 635) patients presented: (i) a higher prevalence of chronic atrial fibrillation, with atrioventricular node ablation performed in around half of the cases; (ii) a similar clinical and echocardiographic profile at baseline; (iii) a similar improvement of LVEF and a similar reduction in ventricular volumes at 6-12 months; (iv) a favourable clinical response at 12 months with an improvement of the clinical composite score similar to that occurring in patients with dilated cardiomyopathy and more pronounced than that observed in patients with ischaemic heart disease; (v) a long-term outcome, in term of freedom from death or heart transplantation, similar to patients affected by ischaemic heart disease and basically more severe than that of patients affected by dilated cardiomyopathy.ConclusionIn 'real world' clinical practice, CRT appears to be effective also in patients with valvular heart disease. However, in this group of patients the outcome after CRT does not precisely overlap any of the two other groups of patients, for which much more data are currently available