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- 1. Phys. Rev. B 75, 014111 (2007) , “Effects of vacancies on the properties of disordered ferroelectrics: A first-principles study”, L. Bellaiche, Jorge Íñiguez, Eric Cockayne, and B. P. BurtonA first-principles-based model is developed to investigate the influence of lead vacancies on the properties of the disordered Pb(Sc1/2Nb1/2)O3 (PSN) ferroelectric. Lead vacancies generate large, inhomogeneous, electric fields that reduce barriers between energy... (Read more)
- 2. Phys. Rev. Lett. 98, 115503 (2007) , “Oxygen Vacancy Clustering and Electron Localization in Oxygen-Deficient SrTiO3: LDA+U Study”, Do Duc Cuong, Bora Lee, Kyeong Mi Choi, Hyo-Shin Ahn, Seungwu Han, and Jaichan LeeWe find, using a local density approximation +Hubbard U method, that oxygen vacancies tend to cluster in a linear way in SrTiO3, a prototypical perovskite oxide, accompanied by strong electron localization at the 3d state of the nearby Ti transition metal ion. The vacancy... (Read more)
- 3. Phys. Rev. B 73, 184105 (2006) , “Iron-oxygen vacancy defect association in polycrystalline iron-modified PbZrO3 antiferroelectrics: Multifrequency electron paramagnetic resonance and Newman superposition model analysis”, Hrvoje Metri, Rüdiger-A. Eichel, Klaus-Peter Dinse, Andrew Ozarowski, Johan van Tol, Louis Claude Brunel, Hans Kungl, Michael J. Hoffmann, Kristin A. Schönau, Michael Knapp, and Hartmut FuessBy utilizing multifrequency electron paramagnetic resonance (EPR) spectroscopy, the iron functional center in Fe3+-modified polycrystalline lead zirconate (PbZrO3) was studied. The single phase polycrystalline sample remained orthorhombic and antiferroelectric down to 20 K as... (Read more)
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Updated at 2010-07-20 16:50:39
Updated at 2010-07-20 16:50:39
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