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dc.contributor.advisorأبو جعفر, محمد
dc.contributor.authorشواهنه, أريج معروف عبد اللطيف
dc.date.accessioned2018-12-06T11:58:44Z
dc.date.available2018-12-06T11:58:44Z
dc.date.issued2018-05-28
dc.identifier.urihttps://hdl.handle.net/20.500.11888/14035
dc.description.abstractHe structural electronic, elastic and optical properties of cubic perovskite SrTMO3 (TM=Zr,Rh,Ti) have been examined by utilizing the full potential linearized augmented plane wave (FP-LAPW), Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA) and local density approximation(LDA) in the framework of the density functional theory . The modified Becke-Johnson potential (mBJ) has been used to improve the energy band gap for the compounds. Structural parameters (lattice parameters, bulk modulus and first pressure derivatives) have been investigated and found to be in good agreement with other experimental and theoretical results. The present calculations are found to be in good agreement with the available experimental data and other theoretical results. SrRhO3 compound is found to behave as metallic, while SrZrO3 and SrTiO3 compound behave as insulator and semiconductor, respectively.SrRhO3 compound has been found in ductile nature while SrZrO3 and SrTiO3 compounds have brittle nature. In addition, SrRhO3 compound has ionic bond while SrZrO3 and SrTiO3 compounds have covalent bonds. Finally, SrRhO3 compound has greater dielectric constant than SrZrO3 and SrTiO3 compounds.en_US
dc.language.isoen_USen_US
dc.publisherAn-Najah National Universityen_US
dc.titleStructural, Electronic, Elastic & Optical Properties of SrRhO3, SrZrO3 and SrTiO3 Compounds: FP-LAPW Studyen_US
dc.title.alternativeالخصائص التركيبية والالكترونية والمرونية والضوئيه لمركبات SrTiO3 و SrZrO3 وSrRhO: دراسة الجهد التام المزيد ذو الموجات المستوية الخطيةen_US
dc.typeThesisen_US


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