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• W2196948812 abstract "An electronic structure of ferroelectric PbZr1/2Ti1/2O3 is presented. The full potential linearized augmented plane wave method is used and the exchange correlation effects are treated by the generalized gradient approximation. In order to understand the ferroelectricity of PbZr1/2Ti1/2O3, the density of states, charge density distribution and band structure are calculated. The results show that the atoms Pb and Ti act similarly as in pure PbTiO3. Like other perovskite ABO3 ferroelectrics, there is a hybridization between the Ti d and O p states, which is responsible for the tendency to ferroelectricity." @default.
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• W2196948812 date "2001-05-03" @default.
• W2196948812 modified "2023-09-25" @default.
• W2196948812 title "An Electronic Structure of Ferroelectric PbZr 0.5 Ti 0.5 O 3" @default.
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• W2196948812 doi "https://doi.org/10.1088/0256-307x/18/6/338" @default.
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