中国物理B ›› 2018, Vol. 27 ›› Issue (12): 127702-127702.doi: 10.1088/1674-1056/27/12/127702

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Epitaxially strained SnTiO3 at finite temperatures

Dawei Wang(王大威), Laijun Liu(刘来君), Jia Liu(刘佳), Nan Zhang(张楠), Xiaoyong Wei(魏晓勇)   

  1. 1 School of Microelectronics and State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an 710049, China;
    2 College of Materials Science and Engineering, Guilin University of Technology, Guilin 541004, China;
    3 State Key Laboratory for Mechanical Behavior of Materials & School of Materials Science and Engineering, Xi'an Jiaotong University, Xi'an 710049, China;
    4 Electronic Materials Research Laboratory-Key Laboratory of the Ministry of Education and International Center for Dielectric Research, Xi'an Jiaotong University, Xi'an 710049, China
  • 收稿日期:2018-08-14 修回日期:2018-09-09 出版日期:2018-12-05 发布日期:2018-12-05
  • 通讯作者: Dawei Wang, Laijun Liu E-mail:dawei.wang@mail.xjtu.edu.edu;2009011@glut.edu.edu
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 11574246, 51390472, U1537210, and 11564010), the National Basic Research Program of China (Grant No. 2015CB654903), the Natural Science Foundation of Guangxi Zhuang Autonomous Region (Grant Nos. GA139008 and AA138162), and the “111” Project of China (Grant No. B14040).

Epitaxially strained SnTiO3 at finite temperatures

Dawei Wang(王大威)1, Laijun Liu(刘来君)2, Jia Liu(刘佳)3, Nan Zhang(张楠)4, Xiaoyong Wei(魏晓勇)4   

  1. 1 School of Microelectronics and State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an 710049, China;
    2 College of Materials Science and Engineering, Guilin University of Technology, Guilin 541004, China;
    3 State Key Laboratory for Mechanical Behavior of Materials & School of Materials Science and Engineering, Xi'an Jiaotong University, Xi'an 710049, China;
    4 Electronic Materials Research Laboratory-Key Laboratory of the Ministry of Education and International Center for Dielectric Research, Xi'an Jiaotong University, Xi'an 710049, China
  • Received:2018-08-14 Revised:2018-09-09 Online:2018-12-05 Published:2018-12-05
  • Contact: Dawei Wang, Laijun Liu E-mail:dawei.wang@mail.xjtu.edu.edu;2009011@glut.edu.edu
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 11574246, 51390472, U1537210, and 11564010), the National Basic Research Program of China (Grant No. 2015CB654903), the Natural Science Foundation of Guangxi Zhuang Autonomous Region (Grant Nos. GA139008 and AA138162), and the “111” Project of China (Grant No. B14040).

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摘要：

By combining the effective Hamiltonian approach and direct ab initio computation, we obtain the phase diagram of SnTiO3 with respect to epitaxial strain and temperature. This demonstrates the complex features of the phase diagram and provides an insight into this system, which is a presumably simple perovskite. Two triple points, as shown in the phase diagram, may be exploited to achieve high-performance piezoelectric effects. Despite the inclusion of the degree of freedom related to oxygen octahedron tilting, the ferroelectric displacements dominate the structural phases over the whole misfit strain range. Finally, we show that SnTiO3 can change from hard to soft ferroelectrics with the epitaxial strain.

关键词: SnTiO3, phase diagram, epitaxial strain

Abstract:

By combining the effective Hamiltonian approach and direct ab initio computation, we obtain the phase diagram of SnTiO3 with respect to epitaxial strain and temperature. This demonstrates the complex features of the phase diagram and provides an insight into this system, which is a presumably simple perovskite. Two triple points, as shown in the phase diagram, may be exploited to achieve high-performance piezoelectric effects. Despite the inclusion of the degree of freedom related to oxygen octahedron tilting, the ferroelectric displacements dominate the structural phases over the whole misfit strain range. Finally, we show that SnTiO3 can change from hard to soft ferroelectrics with the epitaxial strain.

Key words: SnTiO3, phase diagram, epitaxial strain

中图分类号:  (Ferroelectricity and antiferroelectricity)

  • 77.80.-e
77.84.-s (Dielectric, piezoelectric, ferroelectric, and antiferroelectric materials) 81.30.Bx (Phase diagrams of metals, alloys, and oxides)