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Synthesis and Characterization of Tl-1223 Substituted by Scandium

Journal of Materials Science & Technology 2013年第11期29卷 1079-1084页

作者： R.Awad A.Al-Zein M.Roumie I.H.Ibrahim Physics Department Faculty of ScienceAlexandria University laboratoire Structures Proprietes et Modelisation des Solides(SPMS) Physics Department Faculty of ScienceBeirut Arab University Accelerator Laboratory Lebanese Atomic Energy Commission

X-ray powder diffraction, scanning electron microscopy （SEM）, energy dispersive X-ray, electrical resistivity and AC-magnetic susceptibility measurements have been performed for polycrystalline superconducting samples of type TIBa2Ca2_xSCxCU309_δ （0.0 ≤ x 〈 0.6）. The powder X-ray diffractograms indicate that the tetragonal structure of T1-1223 is not affected by Sc-substitution whereas the lattice parameters are changed. The X-ray analysis indicates that the low-contents of scandium （x） enhance the formation of T1-1223 and reduce the secondary phases. The grain-size determined by SEM decreases as x increases. The electrical resistivity measurements show suppression in the superconducting transition temperature, Tc, and an increase in both the residual resistivity and the superconducting transition width as x increases. The suppression in Tc is attributed to the hole-filling mechanism.

关键词： X-ray diffraction Resistivity Superconducting transition temperature AC magnetic susceptibility

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Relaxed energy and structure of edge dislocation in iron

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Chinese Physics B 2011年第2期20卷 363-369页

作者：张研解丽娟张建民徐可为 College of Physics and Information Technology Shaanxi Normal University laboratoire spms ' Ecole Centrale ParisCNRS-UMR 858092295 Cha tenay-Malabry CedexFrance State Key Laboratory for Mechanical Behaviour of Materials Xi'an Jiaotong University

With modified analytical embedded-atom method and molecular dynamics simulation, this paper simulates the strain energy and the equilibrium core structure of a（100） edge dislocation in BCC metal iron on atomistic scale. In addition, the trapping effect of dislocation on vacancy is investigated as well. The results show that the equilibrium dislocation core is quite narrow and has a C2v symmetry structure. Calculated strain energy Es of the dislocation is a linear function of ln（R/2b） while R ≥ 5.16 A（1A = 0.1 nm）, in excellent agreement with the elasticity theory prediction. Determined core radius and energy are 5.16 A and 0.62 eV/A, respectively. The closer the vacancy to the dislocation line is, the lower the vacancy formation energy is, this fact implies that the dislocation has a trend to trap the vacancy, especially for a separation distance of the vacancy from dislocation line being less than two lattice constants.

关键词： iron edge dislocation vacancy modified analytical embedded-atom method

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Data-driven methods for discovery of next-generation electrostrictive materials

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npj Computational Materials 2022年第1期8卷 2393-2399页

作者： Dennis P.Trujillo Ashok Gurung Jiacheng Yu Sanjeev K.Nayak S.Pamir Alpay Pierre-Eymeric Janolin Department of Materials Science and Engineering and Institute of Materials Science University of ConnecticutStorrsCT06269USA X-Ray Science Division Argonne National LaboratoryLemontIL60439USA Department of Physics University of ConnecticutStorrsCT06269USA UniversitéParis-Saclay CentraleSupélecCNRSLaboratoire SPMS91190Gif-sur-YvetteFrance

All dielectrics exhibit electrostriction,i.e.,display a quadratic strain response to an electric field compared to the linear strain dependence of *** such,there is significant interest in discovering new electrostrictors with enhanced electrostrictive coefficients,especially as electrostrictors can exhibit effective piezoelectricity when a bias electric field is *** present the results of a study combining data mining and first-principles computations that indicate that there exists a group of iodides,bromides,and chlorides that have electrostrictive coefficients exceeding 10 m^(4)C^(–2)which are substantially higher than typical oxide electrostrictive ceramics and *** corresponding effective piezoelectric voltage coefficients are three orders of magnitude larger than lead zirconate titanate.

关键词： strict piezoelectric exceeding

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Effect of Pressure on Cesium Iodide Band Gap

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物理化学学报 2018年第2期34卷 208-212页

作者： CEDILLO Andres CORTONA Pietro Departamento de Quimica Universidad Autonoma Metropolitana-Iztapalapa San Rafael Atlixco 186 09340 Mexico DF Mexico laboratoire Structures Proprietes et Modelisation des Solides CNRS UMR 8580 Universite Paris-Saclay CentraleSupelec GrandeV

The evolution of cesium iodide band gap as a function of pressure is studied in the range from 0 to 60 GPa. Within this range, two structural phase transitions occurred, and the band gap was affected by the compression pressure and structural rearrangement. The band gap estimation under pressure, as obtained by the density functional theory methods, successfully reproduced the experimental trend of the optical gap and electrical resistivity, namely, a general decreasing tendency, an early maximum, and a discontinuous peak around 40 GPa.

关键词：密度泛函理论光学科学研究工作物理学

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