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Tuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành hóa học dành cho các bạn yêu hóa học tham khảo đề tài: Influence of Uniaxial Tensile Stress on the Mechanical and Piezoelectric Properties of Short-period Ferroelectric Superlattice | Nanoscale Res Lett 2010 5 448-452 DOI 10.1007 S11671-009-9497-1 NANO IDEAS Influence of Uniaxial Tensile Stress on the Mechanical and Piezoelectric Properties of Short-period Ferroelectric Superlattice Yifeng Duan Chunmei Wang Gang Tang Changqing Chen Received 23 September 2009 Accepted 16 November 2009 Published online 28 November 2009 The Author s 2009. This article is published with open access at Springerlink.com Abstract Tetragonal ferroelectric ferroelectric BaTiO3 PbTiO3 superlattice under uniaxial tensile stress along the c axis is investigated from first principles. We show that the calculated ideal tensile strength is 6.85 GPa and that the superlattice under the loading of uniaxial tensile stress becomes soft along the nonpolar axes. We also find that the appropriately applied uniaxial tensile stress can significantly enhance the piezoelectricity for the superlattice with piezoelectric coefficient d33 increasing from the ground state value by a factor of about 8 reaching 678.42 pC N. The underlying mechanism for the enhancement of piezoelectricity is discussed. Keywords Mechanical property Piezoelectricity Ferroelectric superlattice Introduction Ferroelectrics which can convert mechanical to electrical energy and vice versa have wide applications in medical imaging telecommunication and ultrasonic devices the physical properties of which are sensitive to external Y. Duan H G. Tang Department of Physics China University of Mining and Technology 221116 Xuzhou People s Republic of China e-mail yifeng@semi.ac.cn C. Wang School of Aerospace Xi an Jiaotong University 710049 Xi an People s Republic of China C. Chen Department of Engineering Mechanics AML Tsinghua University 100084 Beijing People s Republic of China e-mail chencq@tsinghua.edu.cn conditions such as strain film thickness temperature electric and magnetic fields 1-3 . BaTiO3 BTO and PbTiO3 PTO as prototype ferroelectric materials and simple systems have been intensively studied 4 5 . It is known .
