We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (DFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The st

This article summarizes the processes that are responsible for cosmogenic radionuclide variations in ice cores and the results that can be inferred from these records. The article starts with the production in the atmosphere caused by the influx of galactic cosmic ray particles and its modulation by the solar and geomagnetic fields. Subsequently, the geochemical behavior of cosmogenic radionuclide

Ba3Si6O12N2:Eu2+ and Ba3Si6O9N4:Eu2+ have strikingly similar atomistic structures, but the former is an efficient green phosphor at working temperature while the latter is a bluish-green phosphor whose luminescence decreases quite fast with temperature. Aiming at the understanding of such different behavior, we compute the quasiparticle electronic band structure of the two hosts, Ba3Si6O 12N2 and

For a set of ten crystalline materials (oxides and semiconductors), we compute the electronic band structures using the Tran-Blaha (TB09) functional. The band widths and gaps are compared with those from the local-density approximation (LDA) functional, many-body perturbation theory (MBPT), and experiments. At the density-functional theory (DFT) level, TB09 leads to band gaps in much better agreem

Savannas are inherently “disturbed” ecosystems, but the regularly recurring disruptions play such a fundamental ecological role (Scholes and Archer, 1997) that “episodic events” rather than “disturbance” may the more apt terminology. From an atmospheric perspective, fire is the most significant of these episodic events. Fires shape community species composition; tree to grass ratio and nutrient re

We review some recent developments in many-body perturbation theory (MBPT) calculations that have enabled the study of interfaces and defects. Starting from the theoretical basis of MBPT, Hedin's equations are presented, leading to the GW and GWΓ approximations. We introduce the perturbative approach, that is the one most commonly used for obtaining quasiparticle (QP) energies. The practical strat

Carefully converged calculations are performed for the band gap of ZnO within many-body perturbation theory (G0W0 approximation). The results obtained using four different well-established plasmon-pole models are compared with those of explicit calculations without such models (the contour-deformation approach). This comparison shows that, surprisingly, plasmon-pole models depending on the f-sum r

We study the effects of self-consistency and vertex corrections on different GW-based approximations for model systems of interacting electrons. For dealing with the most general case, we use the Keldysh time-loop contour formalism to evaluate the single-particle Green's functions. We provide the formal extension of Hedin's GW equations for the Green's function in the Keldysh formalism. We show an

Some theoretical approaches are reviewed to analyze crystallographic and optical properties of phosphors for white light emitting diodes. Stresses are placed on 1) local electro-neutrality for the structural stability of hosts, and 2) dielectric property and coordination of anion ligands around rare-earth luminescent centre for the tuning of emission colour. First-principles calculation results ar

Within many-body perturbation theory, we apply vertex corrections to various closed-shell atoms and to jellium, using a local approximation for the vertex consistent with starting the many-body perturbation theory from a Kohn-Sham Green's function constructed from density-functional theory in the local-density approximation. The vertex appears in two places-in the screened Coulomb interaction W an

This article discusses the position of Southern Yemen with Stockholm's Negotiation, that this talks between two parties, the government and the Houthi Rebel, while the Southern case far from this dialougue.

This article analyzes how political parties in Yemen work to create slogans and use them to gain power

The secondary injury cascades exacerbating the initial brain injury following intracerebral haemorrhage (ICH) are incompletely understood. We used dual microdialysis (MD) catheters placed in the perihaemorrhagic zone (PHZ) and in seemingly normal cortex (SNX) at time of surgical ICH evacuation in ten patients (range 26-70 years). Routine interstitial MD markers (including glucose and the lactate/p

Traumatic brain injury (TBI) represents a significant risk factor for development of neurodegenerative diseases such as Alzheimer's and Parkinson's. The S100A9-driven amyloid-neuroinflammatory cascade occurring during primary and secondary TBI events can serve as a mechanistic link between TBI and Alzheimer's as demonstrated recently in the human brain tissues. Here by using immunohistochemistry i

OBJECTIVE: To investigate the relationship between 3 markers of apoptosis, that is, FADD (Fas-associated death domain-containing protein), caspase-3, and caspase-8, and incidence of coronary events (CEs) in a population-based cohort study.APPROACH AND RESULTS: In vitro experiments were performed to assess the response of the apoptotic biomarkers after Fas stimulation of peripheral blood mononuclea

BACKGROUND: Collagen type IV is the major constituent of basement membranes underlying endothelial cells and is important for endothelial cell attachment and function. Autoantibodies against native collagen type IV have been found in various autoimmune diseases. Oxidation of LDL in the vascular wall results in the formation of reactive aldehydes, which could modify surrounding matrix proteins. Lik

Purpose: According to the 2017 St Gallen surrogate definitions of the intrinsic subtypes, Ki67, progesterone receptor (PR) and Nottingham histological grade (NHG) are used for prognostic classification of estrogen receptor (ER) positive/HER2-negative breast cancer into luminal A- or luminal B-like. The aim of the present study was to investigate if additional biomarkers, related to endocrine signa