Studies on relation between columnar order and electrical conductivity in HAT6 discotic liquid crystals using temperature-dependent Raman spectroscopy and DFT calculations

The vibrational property of 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene (HAT6) discotic liquid crystal (DLC) material is investigated in this research by using temperature-dependent Raman spectroscopy technique. One-dimensional (1D) charge transport mechanism in the DLC molecules is enabled in the columnar liquid crystalline (D_h) phase. The result indicates a high core-to-core correlation in the liquid crystal columnar phase, which has a ‘memory’ like effect that extends into isotropic phase at femtosecond timescale. This correlation is also confirmed through electrical conductivity measurement of DLCs, in which the electrical conductivity is enhanced in the DLC phase. DFT simulation was also carried out in order to elucidate the basic properties of HAT6 such as the band gap in the light of Raman spectra. An interesting outcome is that a freely unspecified boundary model produces in a more flexible molecule, resulting in a reduced band gap. Thus, this work provides an understanding of relationship between columnar order and electrical conductivity of HAT6 molecule, and potential strategy for design of DLCs in electronics application.     

The fluence effect in hydrogen-ion cleaving of silicon at the sub-100-nm scale

The implementation at the sub-100-nm scale of ion cleaving requires ion beams of 5 keV/amu or less. The blistering efficiency in 5-keV H-ion-implanted and annealed Si has been found to peak and vanish in a narrow range of ion fluence of (1.5–3.5)×10¹⁶H/cm². In order to understand this effect, the defect profiles in 5-keV H-irradiated Si were studied by Rutherford backscattering/channelling, while the Si-H bonding configurations during annealing were investigated by Raman scattering spectroscopy. Three types of defects play major roles: the broad-band monohydride multivacancy complexes, the fully or partially passivated monovacancy VH_n, and H-terminated internal surfaces Si(100):H. Blister absence at high fluence is characterised by the persistence up to 550 °C of the Si(100):H structures, which are blister embryos that failed to coalesce and grow. Radiation-induced stresses and fracture toughening may play roles in inhibiting cleavage at high fluence; however, widening towards the surface of the zone of high H and defect concentration is the likely major factor. PACS 61.82.Fk; 82.80.Gk; 61.85.+p     

Bivariate Sarmanov Phase-Type Distributions for Joint Lifetimes Modeling

Methodology and Computing in Applied Probability - In this paper, we are interested in the dependence between lifetimes based on a joint survival model. This model is built using the bivariate...     

Improving accuracy and precision of strain analysis by energy-filtered nanobeam electron diffraction

This article deals with uncertainty in the analysis of strain in silicon nanoscale structures and devices using nanobeam electron diffraction (NBED). Specimen and instrument related errors and instabilities and their effects on NBED analysis are addressed using a nanopatterned ultrathin strained silicon layer directly on oxide as a model system. We demonstrate that zero-loss filtering significantly improves the NBED precision by decreasing the diffuse background in the diffraction patterns. To minimize the systematic deviations the acquired data were verified through a reliability test and then calibrated. Furthermore, the effect of strain relaxation by specimen preparation using a FIB is estimated by comparing profiles, which were acquired by analyzing slices of strained structures in a 220-nm-thick region of the sample (invasive preparation) and the entire strained nanostructures, which are embedded in a thicker region of the same sample (noninvasive preparation). Together with the random deviation, the corresponding systematic shift results in a total deviation of ～1 × 10(-3) for NBED analyses, which is employed to estimate the measurement uncertainty in the thinner sample region. In contrast, the strain in the thick sample region is not affected by the preparation; the systematic shift reduces to a minimum, which improves the total deviation by ～50%.     

Raman-scattering elucidation of the giant isotope effect in hydrogen-ion blistering of silicon

In this work, we investigate the origin of a giant isotope effect discovered in the blistering of hydrogen-ion-implanted and annealed silicon. Si(001) samples were implanted or co-implanted with 5 keV of H and/or D ions to total fluences of 2 x 10(16) and 6 x 10(16) ion/cm(2). The lower fluence is sufficient for blistering by pure H, but the higher one is required for the maximum blister coverage whenever D is involved. On these samples, we carried out Raman-scattering investigations of the evolution of Si-H/D complexes upon a stepwise thermal annealing from 200 to 550 degrees C. We have identified the critical chemical transformations characterizing the hydrogen-deuterium-induced blistering of silicon. The puzzling dependence on ion mass appears to be mainly connected with the nature of the radiation damage. We have found that H is more efficient in "preparing the ground" for blistering by nucleating platelets parallel to the surface, essentially due to its ability to agglomerate in the multihydride monovacancy complexes that evolve into hydrogenated extended internal surfaces. By contrast, D is preferentially trapped in the surprisingly stable monodeuteride multivacancies.     

Tracking atomic processes throughout the formation of heteroepitaxial interfaces

Understanding the atomic processes governing the formation a heteroepitaxial interface is central to predict and control the basic physical and chemical properties of a variety of hetero‐structures. With this perspective, we address in this work the dynamic behavior of Ge atoms deposited on Si‐surfaces by molecular dynamics simulations using enhanced bond order potentials. We demonstrate that the deposition of Ge atoms on Si surface induces the competition between several processes including adsorption, desorption, and bulk and surface diffusion involving atomic exchange, substitution, and clustering. By tracking these process, the simulations provide unprecedented insights onto the assembly of the first atomic layer of Ge on Si, the nucleation, growth, and relaxation of islands and quantum dots as well as of defect generation in the bulk.