Hyungwoo Lee , Minae Ouk , Inseo Kim , Biyi Kim , Seok Bae , Sungwon David Roh , Isao Tanaka , Minseok Choi
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引用次数: 0
Abstract
Using first-principles calculation based on density-functional theory and density-functional perturbation theory, the microscopic structure and dielectric properties of Lanthanide (Ln) doped BaTiO3 are investigated. The doped Ln atoms exhibit significant displacement from Ba sites for charge compensation, forming off-centered configurations. This displacement is more pronounced for elements with smaller ionic radii. The change in ionic dielectric constant is strongly correlated with Ln displacement and Ln ion radius. As Ln displacement (ionic radius) increases (decreases), Ln-doped BaTiO3 has a higher ionic dielectric constant. However, regardless of the Ln species, the added Ln reduces the ionic dielectric constant compared to pristine BaTiO3.
期刊介绍：
Current Applied Physics (Curr. Appl. Phys.) is a monthly published international journal covering all the fields of applied science investigating the physics of the advanced materials for future applications.
Other areas covered: Experimental and theoretical aspects of advanced materials and devices dealing with synthesis or structural chemistry, physical and electronic properties, photonics, engineering applications, and uniquely pertinent measurement or analytical techniques.
Current Applied Physics, published since 2001, covers physics, chemistry and materials science, including bio-materials, with their engineering aspects. It is a truly interdisciplinary journal opening a forum for scientists of all related fields, a unique point of the journal discriminating it from other worldwide and/or Pacific Rim applied physics journals.
Regular research papers, letters and review articles with contents meeting the scope of the journal will be considered for publication after peer review.
The Journal is owned by the Korean Physical Society.
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