193 research outputs found
Ab initio Study of Misfit Dislocations at the SiC/Si(001) Interface
The high lattice mismatched SiC/Si(001) interface was investigated by means
of combined classical and ab initio molecular dynamics. Among the several
configurations analyzed, a dislocation network pinned at the interface was
found to be the most efficient mechanism for strain relief. A detailed
description of the dislocation core is given, and the related electronic
properties are discussed for the most stable geometry: we found interface
states localized in the gap that may be a source of failure of electronic
devices
Nature of bonding and electronic structure in MgB2, a boron intercalation superconductor
Chemical bonding and electronic structure of MgB2, a boron-based newly
discovered superconductor, is studied using self-consistent band structure
techniques. Analysis of the transformation of the band structure for the
hypothetical series of graphite - primitive graphite - primitive graphite-like
boron - intercalated boron, shows that the band structure of MgB2 is
graphite-like, with pi-bands falling deeper than in ordinary graphite. These
bands possess a typically delocalized and metallic, as opposed to covalent,
character. The in-plane sigma-bands retain their 2D covalent character, but
exhibit a metallic hole-type conductivity. The coexistence of 2D covalent
in-plane and 3D metallic-type interlayer conducting bands is a peculiar feature
of MgB2. We analyze the 2D and 3D features of the band structure of MgB2 and
related compounds, and their contributions to conductivity.Comment: 4 pages in revtex, 3 figures in 4 separate EPS file
Stigma in the context of schools: analysis of the phenomenon of stigma in a population of university students
Background Students have stereotyped views about people with mental illness. In particular, they believe that these persons are incurable, dangerous, unpredictable and responsible for their condition. This study aims to investigate the levels of public stigma in an Italian university population. Methods The Attribution Questionnaire 27 - Italian Version (AQ-27-I) was administered to a sample of students from the Faculty of Medicine and Surgery of the University of Modena and Reggio Emilia. After examining the psychometric characteristics of the AQ-27-I (Cronbach’s Alpha and Confirmatory Factor Analysis), multiple linear regression analyses were carried out to identify the predictors of stigmatizing attitudes in this population. Results Three hundred and eleven students completed the questionnaire, with a response rate of 32.81 % (out of the 948 contacted by email). The AQ-27-I showed good psychometric properties with an α = .68, and the fit indices of the models that partially supported the factor structure and paths. The two variables identified as possible predictors of stigmatizing attitudes (total score of AQ-27-I) were age and time spent reading newspapers. Conclusions Antistigma campaigns are needed in university contexts, targeted in particular to students in health professions
Theoretical investigations of a highly mismatched interface: the case of SiC/Si(001)
Using first principles, classical potentials, and elasticity theory, we
investigated the structure of a semiconductor/semiconductor interface with a
high lattice mismatch, SiC/Si(001). Among several tested possible
configurations, a heterostructure with (i) a misfit dislocation network pinned
at the interface and (ii) reconstructed dislocation cores with a carbon
substoichiometry is found to be the most stable one. The importance of the slab
approximation in first-principles calculations is discussed and estimated by
combining classical potential techniques and elasticity theory. For the most
stable configuration, an estimate of the interface energy is given. Finally,
the electronic structure is investigated and discussed in relation with the
dislocation array structure. Interface states, localized in the heterostructure
gap and located on dislocation cores, are identified
Graphite and Hexagonal Boron-Nitride Possess the Same Interlayer Distance. Why?
Graphite and hexagonal boron nitride (h-BN) are two prominent members of the
family of layered materials possessing a hexagonal lattice. While graphite has
non-polar homo-nuclear C-C intra-layer bonds, h-BN presents highly polar B-N
bonds resulting in different optimal stacking modes of the two materials in
bulk form. Furthermore, the static polarizabilities of the constituent atoms
considerably differ from each other suggesting large differences in the
dispersive component of the interlayer bonding. Despite these major differences
both materials present practically identical interlayer distances. To
understand this finding, a comparative study of the nature of the interlayer
bonding in both materials is presented. A full lattice sum of the interactions
between the partially charged atomic centers in h-BN results in vanishingly
small monopolar electrostatic contributions to the interlayer binding energy.
Higher order electrostatic multipoles, exchange, and short-range correlation
contributions are found to be very similar in both materials and to almost
completely cancel out by the Pauli repulsions at physically relevant interlayer
distances resulting in a marginal effective contribution to the interlayer
binding. Further analysis of the dispersive energy term reveals that despite
the large differences in the individual atomic polarizabilities the
hetero-atomic B-N C6 coefficient is very similar to the homo-atomic C-C
coefficient in the hexagonal bulk form resulting in very similar dispersive
contribution to the interlayer binding. The overall binding energy curves of
both materials are thus very similar predicting practically the same interlayer
distance and very similar binding energies.Comment: 18 pages, 5 figures, 2 table
Development of SSR markers and genetic diversity analysis in enset (Ensete ventricosum (Welw.) Cheesman), an orphan food security crop from Southern Ethiopia
Evaluation of sesamum gum as an excipient in matrix tablets
In developing countries modern medicines are often beyond the affordability of the majority of the population. This is due to the reliance on expensive imported raw materials despite the abundance of natural resources which could provide an equivalent or even an improved function. The aim of this study was to investigate the potential of sesamum gum (SG) extracted from the leaves of Sesamum radiatum (readily cultivated in sub-Saharan Africa) as a matrix former. Directly compressed matrix tablets were prepared from the extract and compared with similar matrices of HPMC (K4M) using theophylline as a model water soluble drug. The compaction, swelling, erosion and drug release from the matrices were studied in deionized water, 0.1 N HCl (pH 1.2) and phosphate buffer (pH 6.8) using USP apparatus II. The data from the swelling, erosion and drug release studies were also fitted into the respective mathematical models. Results showed that the matrices underwent a combination of swelling and erosion, with the swelling action being controlled by the rate of hydration in the medium. SG also controlled the release of theophylline similar to the HPMC and therefore may have use as an alternative excipient in regions where Sesamum radiatum can be easily cultivated
The use of reliability factors in analyzing powder patterns in Pt–Si sputtering targets and subsequent films
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