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Clamping enables enhanced electromechanical responses in antiferroelectric thin films

  • Hao Pan,
  • Menglin Zhu,
  • Ella Banyas,
  • Louis Alaerts,
  • Megha Acharya,
  • Hongrui Zhang,
  • Jiyeob Kim,
  • Xianzhe Chen,
  • Xiaoxi Huang,
  • Michael Xu,
  • Isaac Harris,
  • Zishen Tian,
  • Francesco Ricci,
  • Brendan Hanrahan,
  • Jonathan E. Spanier,
  • Geoffroy Hautier,
  • James M. LeBeau,
  • Jeffrey B. Neaton,
  • Lane W. Martin

摘要

Thin-film materials with large electromechanical responses are fundamental enablers of next-generation micro-/nano-electromechanical applications. Conventional electromechanical materials (for example, ferroelectrics and relaxors), however, exhibit severely degraded responses when scaled down to submicrometre-thick films due to substrate constraints (clamping). This limitation is overcome, and substantial electromechanical responses in antiferroelectric thin films are achieved through an unconventional coupling of the field-induced antiferroelectric-to-ferroelectric phase transition and the substrate constraints. A detilting of the oxygen octahedra and lattice-volume expansion in all dimensions are observed commensurate with the phase transition using operando electron microscopy, such that the in-plane clamping further enhances the out-of-plane expansion, as rationalized using first-principles calculations. In turn, a non-traditional thickness scaling is realized wherein an electromechanical strain (1.7%) is produced from a model antiferroelectric PbZrO3 film that is just 100 nm thick. The high performance and understanding of the mechanism provide a promising pathway to develop high-performance micro-/nano-electromechanical systems.