Search results for "ground"
showing 10 items of 2432 documents
Electronic and magnetic structure ofLa0.875Sr0.125MnO3calculated by means of hybrid density-functional theory
2007
We present the results of ab initio calculations on magnetic and electronic structures of La1�xSrxMnO3 at low doping, x =1/8. Using the B3LYP hybrid exchange-correlation functional within the framework of densityfunctional theory, we predict a ferromagnetic ground state for La0.875Sr0.125MnO3 in both the low-temperature orthorhombic and the high-temperature pseudocubic phases. This is in contrast to its parent compound LaMnO3, for which we find in agreement with experiment the layered antiferromagnetic state to be the most stable one. The calculated density of states and bond population analysis suggest a tendency of formation of half-metallic spin states in the band gap of both structures.
BaCoO3 monoclinic structure and chemical bonding analysis: hybrid DFT calculations
2021
Cobalt based perovskites have great potential for numerous applications. Contrary to a generally assumed hexagonal space group (SG P63/mmc) model as the ground state of BaCoO3 (BCO), our hybrid DFT calculations with B1WC density functional and the symmetry group–subgroup derived crystal structure model support the ground state of BCO to be indeed monoclinic, in agreement with recent experimental predictions [Chin et al., Phys. Rev. B, 2019, 100, 205139]. We found for the monoclinic BCO that the C-type anti-ferromagnetic low-spin (AFM LS) state (SG P2/c) is energetically only slightly more preferential at 0 K than the ferromagnetic (FM) LS state (SG C2/c). In turn, these monoclinic structure…
Adenine and 2-aminopurine: Paradigms of modern theoretical photochemistry
2006
Distinct photophysical behavior of nucleobase adenine and its constitutional isomer, 2-aminopurine, has been studied by using quantum chemical methods, in particular an accurate ab initio multiconfigurational second-order perturbation theory. After light irradiation, the efficient, ultrafast energy dissipation observed for nonfluorescent 9H-adenine is explained here by the nonradiative internal conversion process taking place along a barrierless reaction path from the initially populated 1 (ππ* L a ) excited state toward a low-lying conical intersection (CI) connected with the ground state. In contrast, the strong fluorescence recorded for 2-aminopurine at 4.0 eV with large decay lifetime …
From academic to social success? The case of teachers' children in France
2015
International audience; Our presentation takes an interest into the explanation of inequalities in education and more particularly tackles the resources provided by privileged familial backgrounds in order to facilitate educational and social achievement of their children. Our presentation will focus on teachers as parents.For the primary and secondary school level, educational success of teachers' children has been recently demonstrated for the case of France. However the conversion of this academic success into professional or social achievement has not been particularly investigated. Do teachers, as parents, provide their children with all conditions for social achievement? If they suppl…
Complete One-Loop Renormalization of the Higgs-Electroweak Chiral Lagrangian
2018
The electroweak sector of the Standard Model can be formulated in a way similar to Chiral Perturbation Theory (ChPT), but extended by a singlet scalar. The resulting effective field theory (EFT) is called Higgs-Electroweak Chiral Lagrangian (EWCh$\mathcal{L}$) and is the most general approach to new physics in the Higgs sector. It solely assumes the pattern of symmetry breaking leading to the three electroweak Goldstone bosons (i.e. massive $W$ and $Z$) and the existence of a Higgs-like scalar particle. The power counting of the EWCh$\mathcal{L}$ is given by a generalization of the momentum expansion of ChPT. It is connected to a loop expansion, making the theory renormalizable order by ord…
The use of shallow dripwater as an isotopic marker of seepage in karst areas: A comparison between Western Sicily (Italy) and the Harz Mountains (Ger…
2013
Abstract The isotopic signature of slow-flowing dripwater collected in caves located in Western Sicily (Italy) was determined for evaluating its possible use as an isotopic tracer of the local groundwater recharge. These spot measures were compared with a longer series of local rain and spring compositions and with other samples taken, under different hydrogeological conditions, in caves of the Harz Mountains (Northern Germany). The slow flowing dripwater from Sicily showed δ 18 O/δD ratios similar to those of local rain and groundwater, demonstrating that these three are all parent waters. A parallel similarity was found in the vertical isotopic gradient (Δδ 18 O) of the three groups of wa…
Koulukotioppilaiden ei-toivottua käyttäytymistä selittävä kärjistymisteoria : grounded teoria tutkimus
2018
Tämän Grounded Theory -metodologiaan perustuvan tutkimuksen tavoitteena oli käsitteellistää koulukotioppilaiden ei-toivottua käyttäytymistä. Tutkimusaineisto sisältää kuusi koulukotityöntekijän haastattelua. Heistä 3 oli erityisopettajia ja 3 osastoilla työskenteleviä ohjaajia. Koottu aineisto analysoitiin jatkuvan vertailun menetelmällä. Tutkielman tuloksena syntyi ei-toivotun käyttäytymisen kärjistymisteoria. Siinä oppilaiden ei-toivottua käyttäytymistä selittää kehkeytyminen, joka tarkoittaa tilanteen kehittymistä, eskaloitumista tai kärjistymistä vuorovaikutustilanteesta ei-toivottuun käyttäytymiseen. Kärjistymiselle löytyi neljä erilaista sitä kuvaavaa prosessia, joista kaksi saavat al…
Determination of absolute internal conversion coefficients using the SAGE spectrometer
2016
A non-reference based method to determine internal conversion coefficients using the SAGE spectrometer is carried out for transitions in the nuclei of 154Sm, 152Sm and 166Yb. The Normalised-Peak-to-Gamma method is in general an efficient tool to extract internal conversion coefficients. However, in many cases the required well-known reference transitions are not available. The data analysis steps required to determine absolute internal conversion coefficients with the SAGE spectrometer are presented. In addition, several background suppression methods are introduced and an example of how ancillary detectors can be used to select specific reaction products is given. The results obtained for …
Improved calculations of beta decay backgrounds to new physics in liquid xenon detectors
2020
We present high-precision theoretical predictions for the electron energy spectra for the ground-state to ground-state $\beta$ decays of $^{214}$Pb, $^{212}$Pb, and $^{85}$Kr most relevant to the background of liquid xenon dark matter detectors. The effects of nuclear structure on the spectral shapes are taken into account using large-scale shell model calculations. Final spectra also include atomic screening and exchange effects. The impact of nuclear structure effects on the $^{214}$Pb and $^{212}$Pb spectra below $\approx100$ keV, pertinent for several searches for new physics, are found to be comparatively larger than those from the atomic effects alone. We find that the full calculatio…
Lifespan and skeletal muscle properties the effects of genetic background, physical activity and aging
2016
Obesity and metabolic disorders have become a notable world-wide epidemic. The pathogenesis of metabolic diseases, such as metabolic syndrome and type 2 diabetes, has begun to negatively affect life expectancy of current generations. Low aerobic capacity has shown to be a strong predictor of mortality both in rodents and humans. Exercise is known to increase an individual’s aerobic capacity; interestingly, recent studies have suggested that genetic background may play a significant role in the physical activity level of an individual. The purpose of this study was to investigate the role of genetic background and physical activity on skeletal muscle properties, metabolism and lifespan. The …