Enhancing optical absorption in visible light of ZnO co-doped with europium and promethium by first-principles study through modified Becke and Johnson potential scheme

By using first-principles calculations we studied the electronic, optical and magnetic properties of ZnO co-doped with Eu and Pm. In this calculation, we used Wien2k code based on full potential linearized augmented plane waves (FP-LAPW) method with the modified Becke-Johnson (mBJ) approximation. This correction gives good band gap compared to experimental band gap. The introduction of Eu and Pm codoping leads to an increase in the band gap. Electrons can transit easily from the valence band to the conduction band, which results in an enhancement of visible light absorption in a wider absorption range. Absorption spectra reach a high value in visible and infrared light regions. With the significance of the obtained results, the studied compounds may potentially find spintronic and optoelectronic applications.     

Ab Initio and Monte Carlo Approaches for the Magnetocaloric Effect in BaMnO<Subscript>3</Subscript> Oxide Perovskite

The self-consistent ab initio calculations, based on density functional theory approach (DFT) and using full potential linearised augmented plane wave (FLAPW) method, have been used to investigate both electronic and magnetic properties of the BaMnO₃ perovskite. Spin-polarised calculations, including the spin-orbit interaction, are used to determine the energy of the ferromagnetic (FM) and antiferromagnetic (AFM) states of BaMnO₃ perovskite. Obtained data from ab initio calculations are used as input for the Monte Carlo simulations to compute other magnetic parameters. Magnetisation, specific heat and magnetic entropy change have been given using the Monte Carlo simulations. The adiabatic temperature change, transition temperature and relative cooling power have been established.     

Silicene Nanoribbons on an Insulating Thin Film

Silicene, a new 2D material has attracted intense research because of the ubiquitous use of silicon in modern technology. However, producing free-standing silicene has proved to be a huge challenge. Until now, silicene could be synthesized only on metal surfaces where it naturally forms strong interactions with the metal substrate that modify its electronic properties. Here, the authors report the first experimental evidence of silicene nanoribbons on an insulating NaCl thin film. This work represents a major breakthrough, for the study of the intrinsic properties of silicene, and by extension to other 2D materials that have so far only been grown on metal surfaces.     

Dielectric,ferroelectric, and energy storage properties in dysprosium doped sodium bismuth titanate ceramics

In this work, Na_0.5(Bi_1-xDy_x)_0.5TiO₃ (0?≤?x?≤?15%) ceramics were prepared via solid state reaction method and were characterized. A stable and pure perovskite phase was revealed by X-ray diffraction analysis for all compositions and a symmetry change from rhombohedral to orthorhombic phase was detected beyond 10% of Dy substitution. The incorporation of Dy³⁺ into Sodium Bismuth Titanate (Na_0.5Bi_0.5TiO₃) matrix allows a substantial decrease of the coercive field, an increase in the resistivity, and leads to a high stability of the dielectric permittivity (??/?_(150?°C) ≤?±?15%) over a wide temperature range. Furthermore, this system was found to exhibit improved energy storage properties at high temperatures with a maximum energy density of 1.2?J/cm³ obtained for 2%Dy composition at 200?°C. The obtained results are very promising for energy storage capacitors operating at high temperatures.     

Electronic,Magnetic, Electric and Magnetocaloric Properties of the Multiferroic Orthorhombic YMnO3

Journal of Superconductivity and Novel Magnetism - Multiferroic oxide materials have attracted much intention in recent years due to their application in different fields such as magnetic...     

Fatty acids,sterols, and tocopherols composition in seed oil extracts from four moroccan ecotypes of Ceratonia siliqua L.

Morphological characterization was investigated by agro-morphological criteria related to carob seed size in four different moroccan regions collected in 2018 and 2019. There was no significant difference (p ≤ 0.05) on the seeds lengths and widths. However, a significant difference between seeds thickness and total seeds weight per pod (p ≤ 0.05) were observed between these four populations. The fatty acid, sterol, tocopherol, hydrocarbon, and the unoxygenated composition of carob seed extracts (Ceratonia siliqua L.) were studied. The mean fat yield of the seeds obtained is 1.53%–2.17%, 2.14%–2.15%, 1.61%–1.62%, 1.71%–1.75% for, respectively, the P1 (Meknes), P2 (Fez), P3 (Khemisset), and P4 (Marrakech) in 2018 and 2019. The seed oil was extracted with hexane and the analysis of the fatty fraction was performed by gas chromatography–mass spectrometry (GC–MS). Results show that the major fatty acids for 2018 and 2019 are linoleic acid (61.48%–61.52%, 52.12%–52.14%, 57.76%–58.15%, 61.33%–61.52%), palmitic acid (15.78%–15.81%, 16.44%–16.45%, 19.11%–18.37%, 20.24%–20.32%), oleic acid (11.03%–11.04%, 8.72%–8.82%, 8.51%–8.61%, 8.41%–8.53%), stearic acid (4.35%–3.14%, 5.40%–5.43%, 3.12%–3.13%, 0.96%–1.56%), and cerotic acid (0.62%–0.53%, 4.51%–4.52%, 4.03%–4.06%, 3.84%–3.87%). The unsaturated fatty acids (69.39% in 2018 and 69.68% in 2019) are the most dominant in the four seed extracts compared to the saturated fatty acids. In addition, the oil carob seeds analysis revealed the presence of γ-tocopherol, α-tocopherol and four sterols that included campesterol, stigmasterol, and β-sitosterol. Moreover, the determination of hydrocarbon and un-oxygenated compounds confirmed the existence of major compounds such as heptadecane, 2-methyltriacontane, 1-iodo hexadecane and 1-iodo octadecane. The hierarchical analysis based on the morphological and chromatographic characterization of the seeds allowed the identification of three groups. Consequently, the first group consisted of populations from Marrakesh (P4) and Khemisset (P3), the second group consisted of the P1 from Meknes, and the P2 from Fez constituted the third group.     

Monte Carlo Study of the Magnetic Properties of ErRh Layers

The magnetic properties of antiferromagnetic ErRh layers have been studied using Monte Carlo simulations within the framework of the Ising model. The Hamiltonian considered includes both nearest-neighbor interactions and external magnetic field. Magnetizations and magnetic susceptibility versus temperature are computed for a fixed size. In addition, blocking temperature versus both size and applied external magnetic field is estimated. Hysteresis cycle versus temperature, saturation magnetization, coercive field, and the remanent magnetization are reported as well.