The Piezoelectricity of AlScN Thin Films under High-Pressure Regime

IF 0.9 4区物理与天体物理 Q4 PHYSICS, CONDENSED MATTER Physics of the Solid State Pub Date : 2024-04-01 DOI:10.1134/s1063783423600309

Fares Kanouni, Fahima Arab, Saad Amara, Khaled Bouamama, Mohamed Halit

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Abstract

This study investigated the structural, mechanical, piezoelectric, and electromechanical properties of AlScN thin films using density functional theory (DFT) under varying levels of applied pressure, ranging from 0 to 20 GPa. The primary focus of this research is to explore the feasibility of optimizing AlScN thin films for surface acoustic wave (SAW) applications through pressure-induced modifications. Our findings reveal two significant outcomes. First, we observe a notable increase in the elastic constant C₃₃ as a function of pressure. This increase signifies a substantial enhancement in material stiffness, directly influencing wave propagation and velocity within the thin films. Second, a remarkable 68% improvement in the piezoelectric constant, d₃₃, is identified for Al_0.75Sc_0.25N at an applied pressure of 20 GPa compared to Al_0.75Sc_0.25N at 0 GPa. This enhancement has a profound impact on the electromechanical coupling characteristics of the material. These results underscore the potential for tuning the piezoelectric response of AlScN thin films using applied pressure, offering a promising avenue for enhancing the performance of SAW-based AlScN devices.

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高压条件下 AlScN 薄膜的压电性

摘要本研究使用密度泛函理论（DFT）研究了在 0 到 20 GPa 的不同外加压力下 AlScN 薄膜的结构、机械、压电和机电特性。这项研究的主要重点是探索通过压力引起的改性来优化表面声波 (SAW) 应用的 AlScN 薄膜的可行性。我们的研究结果揭示了两个重要成果。首先，我们观察到弹性常数 C33 随压力的变化而显著增加。这种增加意味着材料刚度的大幅提高，直接影响到薄膜内波的传播和速度。其次，与 0 GPa 时的 Al0.75Sc0.25N 相比，20 GPa 时的 Al0.75Sc0.25N 的压电常数 d33 明显提高了 68%。这种增强对材料的机电耦合特性有着深远的影响。这些结果凸显了利用外加压力调整 AlScN 薄膜压电响应的潜力，为提高基于声表面波的 AlScN 器件的性能提供了前景广阔的途径。

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来源期刊

Physics of the Solid State 物理-物理：凝聚态物理

CiteScore

1.70

自引率

0.00%

发文量

审稿时长

2-4 weeks

期刊介绍： Presents the latest results from Russia’s leading researchers in condensed matter physics at the Russian Academy of Sciences and other prestigious institutions. Covers all areas of solid state physics including solid state optics, solid state acoustics, electronic and vibrational spectra, phase transitions, ferroelectricity, magnetism, and superconductivity. Also presents review papers on the most important problems in solid state physics.