A922 Sequential measurement of 1 hour creatinine clearance (1-CRCL) in critically ill patients at risk of acute kidney injury (AKI)

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Exploring the structural, electronic, magnetic, and magneto-optical properties of double perovskites Ca_2TMIrO_6 (TM = Fe, Co) through first principles study

This study is aimed at exploring the electronic, magnetic, and magneto-optical properties of double perovskites Ca_2FeIrO_6 and Ca_2CoIrO_6 with monoclinic structure (space group P21/c) in order to examine their potential applications in spintronic and photovoltaic devices. The calculations were done using the full-potential linearized augmented plane wave within the density functional theory. For the electronic exchange-correlation function, we used the generalized gradient approximation (GGA) and GGA+U (Hubbard potential), and spin-orbit coupling (SOC). The study showed that Ca_2FeIrO_6 and Ca_2CoIrO_6 exhibit a monoclinic structure (space group P21/c). The structure relaxation shows an antiferromagnetic behavior in both systems with a magnetic moment of about 6.00 μB for Ca_2FeIrO_6 and 4.00 μB for Ca_2CoIrO_6 by using GGA+U approximation. The results of GGA and GGA+U predict the half-metallic behavior of Ca_2FeIrO_6 and Ca_2CoIrO_6. The magneto-optical polar Kerr effect (MOKE) was examined by studying the variation of Kerr and ellipticity rotation. The Kerr rotation angle is 1.3º at 4.82 eV and -1.21º at 4.3 eV, and the ellipticity angle is -1.21º at 4.3 eV for Ca_2FeIrO_6. In the case of Ca_2CoIrO_6, the Kerr rotation angle is -1.04º at 4.05 eV; the significant Kerr rotation in both compounds may suggest the application of these materials in optoelectronics bias. The named compounds have a potential application in the field of spintronics and its devices, such as in optoelectronics technologies

Investigation of the electronic and magnetic properties of Mn doped ZnO using the FP-LAPW method

We report on the results of the structural, electronic and magnetic properties of ZnO (1 x 1 x 1), (1 x 2 x 2) in the zincblende (ZB) and rocksalt (RS) phases produced by doping Mn in ZnO structures, considering, for the magnetic interaction between the Mn atoms, both the near and far positions. These are evaluated using density functional theory (DFT). The band gaps of the ZnO semiconductor are calculated by the full potential linearized augmented plane wave (FP-LAPW) method with the local spin density approximation (LSDA) and the modified Becke-Johson (mBJ) potential. The results of the theoretical calculations are compared to the experimental values. The gaps of RS-ZnO are 0.735(LDA) eV and 2.688(LDA+mBJ) eV. They are comparable to 2.45 eV; in the zincblende phase, the gaps are 0.694(LDA) eV and 2.946(LDA+mBJ) eV compared to the 3.27 eV experimental value. Both the band gap and the total magnetic moment of Mn doped ZnO increased in the supercell 1 x 2 x 2 for the RS and ZB phases. Our analysis revealed that the mBJ potential is very efficient for the determination of the band gaps of ZnO semiconductors; it is clear that the mBJ potential gives good results for the treatment of the d-orbitals. (C) 2017 The Physical Society of the Republic of China (Taiwan). Published by Elsevier B.V. All rights reserved.WOS:0004076130000392-s2.0-8502784796

Microstructure and microtexture evolution with aging treatment in an Al-Mg-Si alloy severely deformed by HPT

Experiments were conducted on an Al–0.6 % Mg–0.4 % Si alloy to evaluate the effect of different preliminary thermal treatments on the evolution of microstructure and microtexture during processing by High-Pressure Torsion (HPT). Disks of the alloy were solution-treated, then some disks were briefly aged at 473 K, and other disks were briefly aged at 523 K before processing by HPT for up to 20 complete revolutions. The processing by HPT refined the microstructure to an average grain size as small as ~0.25 ?m in the solution-treated alloy after 20 turns but preliminary aging led to slightly larger average grain sizes of ~0.35–0.40 ?m after 20 turns. For all processing conditions, there was a high fraction of high-angle grain boundaries after HPT and it is shown that aging introduces changes in the microtexture intensities.<br/

Ab initio study of GdCo5 magnetic and magneto-optical properties

The full potential linearized augmented plane wave method (FLAPW) including the spin-orbit coupling has been used to study the structural, electronic and magnetic properties of GdCo5 compound. The calculations were performed within the local spin density approximation (LSDA) as well as Coulomb corrected LSDA + U approach. The study revealed that the LSDA + U method gave a better representation of the band structure, density of states and magnetic moments than LSDA. It was found that the spin magnetic moment of Co (2c) and Co (3g) atoms in the studied compound is smaller compared to the one in bulk Co. The optical and magneto-optical properties and the magneto-optical Kerr effect have also been investigated

Ab initio study of GdCo5 magnetic and magneto-optical properties

The full potential linearized augmented plane wave method (FLAPW) including the spin-orbit coupling has been used to study the structural, electronic and magnetic properties of GdCo5 compound. The calculations were performed within the local spin density approximation (LSDA) as well as Coulomb corrected LSDA + U approach. The study revealed that the LSDA + U method gave a better representation of the band structure, density of states and magnetic moments than LSDA. It was found that the spin magnetic moment of Co (2c) and Co (3g) atoms in the studied compound is smaller compared to the one in bulk Co. The optical and magneto-optical properties and the magneto-optical Kerr effect have also been investigated.WOS:0004787844000062-s2.0-8506566204