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<p>The emerged wurtzite (wz) Al<sub>1−<i>x</i></sub>B<sub><i>x</i></sub>N alloy has drawn increasing attention due to its superior ferroelectricity and excellent compatibility with microelectronics. We find that the stability and ferroelectric switching pathways of wz-Al<sub>1−<i>x</i></sub>B<sub><i>x</i></sub>N alloys are affected by the orbital contribution, covalent bond strength, and elastic constant <i>C</i><sub>14</sub>. As the concentration of B increases, the internal parameter u decreases while the elastic constant C<sub>14</sub> increases, leading to an increase in spontaneous polarization and a decrease in the polarization switching barrier. The spontaneous polarization, polarization switching barrier, and band gap of wz-Al<sub>1−<i>x</i></sub>B<sub><i>x</i></sub>N alloy can be further improved through the application of strain in a specific direction, resulting in a giant ferroelectricity. Additionally, the phase transformation of the wz-Al<sub>1−<i>x</i></sub>B<sub><i>x</i></sub>N alloy induced by the increasing B composition can be regarded as a sequential process involving shrinkage, rotation, and deformation of tetrahedron. These findings give a deep understanding of the ferroelectric wz-Al<sub>1−<i>x</i></sub>B<sub><i>x</i></sub>N alloy, and provide a guideline for designing a high-performance ferroelectric wz-Al<sub>1−<i>x</i></sub>B<sub><i>x</i></sub>N alloy.</p>

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Realizing giant ferroelectricity in stable wz-Al1−xBxN alloys by controlling the microstructure and elastic constant

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年2月14日

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  • Jie Su,
  • Zhengmao Xiao,
  • Xinhao Chen,
  • Yong Huang,
  • Zhenhua Lin,
  • Jingjing Chang,
  • Jincheng Zhang,
  • Yue Hao

摘要

The emerged wurtzite (wz) Al1−xBxN alloy has drawn increasing attention due to its superior ferroelectricity and excellent compatibility with microelectronics. We find that the stability and ferroelectric switching pathways of wz-Al1−xBxN alloys are affected by the orbital contribution, covalent bond strength, and elastic constant C14. As the concentration of B increases, the internal parameter u decreases while the elastic constant C14 increases, leading to an increase in spontaneous polarization and a decrease in the polarization switching barrier. The spontaneous polarization, polarization switching barrier, and band gap of wz-Al1−xBxN alloy can be further improved through the application of strain in a specific direction, resulting in a giant ferroelectricity. Additionally, the phase transformation of the wz-Al1−xBxN alloy induced by the increasing B composition can be regarded as a sequential process involving shrinkage, rotation, and deformation of tetrahedron. These findings give a deep understanding of the ferroelectric wz-Al1−xBxN alloy, and provide a guideline for designing a high-performance ferroelectric wz-Al1−xBxN alloy.