用于改善近场换能器中等离子体传递与纳米加热的Au基合金多尺度设计
Multiscale Design of Au-Based Alloys for Improved Plasmon Delivery and Nanoheating in Near-Field Transducers
AI总结：
该研究提出结合量子多体微扰理论与有限元建模的多尺度方法，预测Au基贵金属合金在近场换能器中的电热性能，发现低浓度Pd合金化可保持Au的等离子体性能并提升热机械稳定性。
摘要：
等离子体近场换能器（NFTs）在为从医疗设备到下一代数据处理技术等众多应用提供纳米级加热方面发挥着关键作用。我们提出了一种新颖的多尺度方法，将量子多体微扰理论与有限元建模相结合，以预测各种Au基贵金属（M）合金的电学和热学材料参数。具体而言，我们专注于对它们在一种NFT中的性能进行建模，该NFT旨在聚焦高强度、亚衍射光，用于纳米级蚀刻、操控、传感和热辅助磁记录（HAMR）等技术。由于在相关波长下具有优异的等离子体性能，纯元素Au长期以来一直是通用的NFT介质。然而，纯元素Au是一种柔软、延展性强的材料，在极端温度梯度下容易发生挤出和变形。因此，将Au与其他贵金属（如Ag、Cu、Pd或Pt）合金化引起了广泛关注，以期在标准光电工作波长（例如约830 nm）和近似的高功率NFT温度（约400 K）下达到阈值等离子体生成的同时，提升机械和热稳定性。我们预测，与纯元素Au相比，某些Au-Ag合金作为整体NFT介质可提供更好的热稳定性，且其等离子体品质因数与Au相当。对某些固溶体Au-Pd/Pt合金的模拟使我们能够预测其热导率得到显著增强。我们预测，在低浓度（约10%）下与Pd合金化可能保持Au的NFT性能，同时提供改善热稳定性和机械稳定性的益处。
英文摘要：
Plasmonic near-field transducers (NFTs) play a key role in administering nanoscale heating for a number of applications ranging from medical devices to next generation data processing technology. We present a novel multi-scale approach, combining quantum many-body perturbation theory with finite-element modelling, to predict the electric and thermal material parameters of various Au-based, noble metal (M) alloys. Specifically, we focus on modelling their performance within an NFT designed to focus high-intensity, sub-diffracted light for technologies such as nanoscale etching, manipulation, sensing, and heat-assisted magnetic recording (HAMR). Elemental Au is the long-standing general-purpose NFT medium due its excellent plasmonic performance at relevant wavelengths. However, elemental Au is a soft, ductile material that tends to extrude and deform in response to extreme temperature gradients. Therefore, alloying Au with other noble metals such as Ag, Cu, Pd or Pt, has attracted considerable interest for improved mechanical and thermal robustness while reaching threshold plasmonic generation at standard optoelectronics operating wavelengths (e.g., $\approx 830$~nm) and approximate high-power NFT temperatures ($\approx 400$~K). We predict that certain Au-Ag alloys may offer improved thermal stability as whole-NFT media compared to elemental Au, alongside plasmonic figures of merit comparable to that of Au. Simulations of certain solid solution Au-Pd/Pt alloys enable us to predict significantly enhanced thermal conductivity. We predict that alloying with Pd at low concentrations $\sim 10\%$ may preserve the NFT performance of Au, while offering the benefits of improved thermal and mechanical stability.
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