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Proceedings Paper

The structure and dielectrics of epitaxially strained BaRO3(R=Ti, Zr) thin films
Author(s): Jinlong Tang; Jun Zhu; Jie Xiong; Wenfeng Qin; Yanrong Li
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Paper Abstract

The structure and static dielectric permittivity of BaRO3(R=Ti, Zr) thin films as a function of epitaxial strain are determined by using first-principle density functional theory calculation based on pseudopotentials and a plane-wave basis. It is found that BaTiO3 thin films under compressive misfit strain can be grown more easily than those under tensile misfit strain, while thin films of BaZrO3 can be grown more easily under tensile strain. The static dielectric permittivity of BaTiO3 thin films under different misfit strain is obtained by calculating optical phonon frequencies and Born effective charges using density functional perturbation theory. The zero-temperature dielectric permittivity of ε33 increases to the maximal value under compressive misfit strain, while the ε11/22 reaches to its maximal value under tensile misfit strain. For BaZrO3 thin films, the dielectric permittivity εr changes little. However, εr exhibits non-linear characteristics under tensile strain, which reaches to the maximal value under misfit strain of ~1%. This unsymmetrical dielectric behavior caused by strain is attributed to soften phonons in BaTiO3 or BaZrO3 thin films.

Paper Details

Date Published: 11 March 2008
PDF: 4 pages
Proc. SPIE 6984, Sixth International Conference on Thin Film Physics and Applications, 698402 (11 March 2008); doi: 10.1117/12.792149
Show Author Affiliations
Jinlong Tang, Univ. of Electronic Science and Technology of China (China)
Jun Zhu, Univ. of Electronic Science and Technology of China (China)
Jie Xiong, Univ. of Electronic Science and Technology of China (China)
Wenfeng Qin, Univ. of Electronic Science and Technology of China (China)
Yanrong Li, Univ. of Electronic Science and Technology of China (China)


Published in SPIE Proceedings Vol. 6984:
Sixth International Conference on Thin Film Physics and Applications

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