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- W2912502302 abstract "In this thesis total energy calculations has been performed for the superstructure in order to establish a relashionship between the electronic structure of YBCO superconductor and the vacancy ordeing of oxygens in the basal plane and to study the structural phases in different temperatures using different vacancy configarations. Eight supercells of different configrations containing up to four formula units has been used for electronic structure calculations to determine total energies.The effective pair interactions has been obtained by applying the cluster expansion tecnique. Monte-Carlo simulations has been performed on a lattice based on calculated pair interactions. Results show that the most stable structure phase is OII. Also there is a phase transition from the OII phase to tetragonal in 2070K. The results of this research in temperatures lower than 1000K match with experimental results. Also there is no experimental reason to reject the existence of the OII phase in higher temperatures yet." @default.
- W2912502302 created "2019-02-21" @default.
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- W2912502302 date "2015-01-01" @default.
- W2912502302 modified "2023-09-27" @default.
- W2912502302 title "Doping-driven structrul phase transitions in the YBCO high-Tc superconductor, based on the cluster expansion method" @default.
- W2912502302 hasPublicationYear "2015" @default.
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