Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films
The influence of crystal orientations on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films has been investigated using an expanded nonlinear thermodynamic theory. The calculations reveal that crystal orientation has significant influence on the phase stabilit...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2016-01-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4940205 |
| _version_ | 1819261639242809344 |
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| author | Huaping Wu Xuefu Ma Zheng Zhang Jun Zeng Jie Wang Guozhong Chai |
| author_facet | Huaping Wu Xuefu Ma Zheng Zhang Jun Zeng Jie Wang Guozhong Chai |
| author_sort | Huaping Wu |
| collection | DOAJ |
| description | The influence of crystal orientations on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films has been investigated using an expanded nonlinear thermodynamic theory. The calculations reveal that crystal orientation has significant influence on the phase stability and phase transitions in the misfit strain-temperature phase diagrams. In particular, the (110) orientation leads to a lower symmetry and more complicated phase transition than the (111) orientation in BaTiO3 films. The increase of compressive strain will dramatically enhance the Curie temperature TC of (110)-oriented BaTiO3 films, which matches well with previous experimental data. The polarization components experience a great change across the boundaries of different phases at room temperature in both (110)- and (111)-oriented films, which leads to the huge dielectric and piezoelectric responses. A good agreement is found between the present thermodynamics calculation and previous first-principles calculations. Our work provides an insight into how to use crystal orientation, epitaxial strain and temperature to tune the structure and properties of ferroelectrics. |
| first_indexed | 2024-12-23T19:45:00Z |
| format | Article |
| id | doaj.art-445725143dab44fc94dbd69d66fd895b |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-23T19:45:00Z |
| publishDate | 2016-01-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-445725143dab44fc94dbd69d66fd895b2022-12-21T17:33:33ZengAIP Publishing LLCAIP Advances2158-32262016-01-0161015309015309-1410.1063/1.4940205034601ADVEffect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin filmsHuaping Wu0Xuefu Ma1Zheng Zhang2Jun Zeng3Jie Wang4Guozhong Chai5Key Laboratory of E&M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014, ChinaKey Laboratory of E&M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014, ChinaKey Laboratory of E&M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014, ChinaKey Laboratory of E&M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014, ChinaDepartment of Engineering Mechanics, School of Aeronautics and Astronautics, Zhejiang University, Hangzhou 310027, ChinaKey Laboratory of E&M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014, ChinaThe influence of crystal orientations on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films has been investigated using an expanded nonlinear thermodynamic theory. The calculations reveal that crystal orientation has significant influence on the phase stability and phase transitions in the misfit strain-temperature phase diagrams. In particular, the (110) orientation leads to a lower symmetry and more complicated phase transition than the (111) orientation in BaTiO3 films. The increase of compressive strain will dramatically enhance the Curie temperature TC of (110)-oriented BaTiO3 films, which matches well with previous experimental data. The polarization components experience a great change across the boundaries of different phases at room temperature in both (110)- and (111)-oriented films, which leads to the huge dielectric and piezoelectric responses. A good agreement is found between the present thermodynamics calculation and previous first-principles calculations. Our work provides an insight into how to use crystal orientation, epitaxial strain and temperature to tune the structure and properties of ferroelectrics.http://dx.doi.org/10.1063/1.4940205 |
| spellingShingle | Huaping Wu Xuefu Ma Zheng Zhang Jun Zeng Jie Wang Guozhong Chai Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films AIP Advances |
| title | Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films |
| title_full | Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films |
| title_fullStr | Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films |
| title_full_unstemmed | Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films |
| title_short | Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films |
| title_sort | effect of crystal orientation on the phase diagrams dielectric and piezoelectric properties of epitaxial batio3 thin films |
| url | http://dx.doi.org/10.1063/1.4940205 |
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