利用分子动力学模拟研究霞石薄膜退火过程中的热应力效应

IF 2.6 4区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC
Kiran Raj, Yongwoo Kwon
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引用次数: 0

摘要

铪或氧化铪是一种高κ介电材料,在半导体器件领域具有极其重要的地位。三维器件结构的最新进展要求在非平面基底上形成几纳米厚的共形薄膜。在制造阶段,人们发现薄膜的退火过程可以缓解薄膜-基底界面的分层问题。然而,人们发现,薄膜冷却至室温时产生的残余应力可能会导致分层。在本研究中,我们提出了一个理想化的原子模型来模拟三维-NAND 结构的临界区域,以深入了解铪制薄膜退火过程中热应力和分层的影响。我们利用电荷优化多体势能(COMB)进行分子动力学模拟,对不同厚度的霞糠层进行加热和冷却模拟。结果表明,在加热过程中,随着退火温度的升高,分层的严重程度会降低。在哈夫纳层厚度极低的情况下,分层不会发生。然而,在冷却过程中,尤其是高温梯度较大时,会出现严重的分层现象。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Investigation of thermal stress effects during annealing of hafnia-made thin film using molecular dynamics simulations

Investigation of thermal stress effects during annealing of hafnia-made thin film using molecular dynamics simulations

Hafnia or hafnium oxide is a high-κ dielectric material with paramount importance in the realm of semiconductor devices. Recent advancements in 3D device structures require a few nanometer-thick conformal films on non-planar substrates. During the fabrication stage, the annealing process of thin films has been discovered to mitigate delamination issues at the film-substrate interface. However, it has been observed that the residual stress, which emerges as the film cools to room temperature, may lead to delamination. In this study, we propose an idealized atomistic model to mimic the critical region of a 3D-NAND structure, to get insights into the effect of thermal stress and delamination during the annealing of hafnia-made thin film. We employ molecular dynamics simulation using charge-optimized many-body potential (COMB) to perform heating and cooling simulations for different thicknesses of the hafnia layer. Our results suggest that, during heating, as the annealing temperature increases, the severity of delamination decreases. At extremely low thickness of the hafnia layer, delamination does not occur. However, significant delamination is observed during the cooling process, especially when the high temperature gradient is high.

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来源期刊
Microelectronic Engineering
Microelectronic Engineering 工程技术-工程:电子与电气
CiteScore
5.30
自引率
4.30%
发文量
131
审稿时长
29 days
期刊介绍: Microelectronic Engineering is the premier nanoprocessing, and nanotechnology journal focusing on fabrication of electronic, photonic, bioelectronic, electromechanic and fluidic devices and systems, and their applications in the broad areas of electronics, photonics, energy, life sciences, and environment. It covers also the expanding interdisciplinary field of "more than Moore" and "beyond Moore" integrated nanoelectronics / photonics and micro-/nano-/bio-systems. Through its unique mixture of peer-reviewed articles, reviews, accelerated publications, short and Technical notes, and the latest research news on key developments, Microelectronic Engineering provides comprehensive coverage of this exciting, interdisciplinary and dynamic new field for researchers in academia and professionals in industry.
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