扩展第一原理组合蒙特卡洛法，模拟各向异性晶体 Al2O3 的二次电子产率

IF 2.7 3区物理与天体物理 Q2 PHYSICS, APPLIED

Journal of Applied Physics Pub Date : 2024-01-02 DOI:10.1063/5.0182083

Jianwei Zhang, Ying Niu, Runqi Yan, Rongqi Zhang, Meng Cao, Yongdong Li, Chunliang Liu, Jiawei Zhang, Wei Luo

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引用次数: 0

摘要

本文提出了第一原理组合蒙特卡洛方法的扩展，以获得各向异性晶体 Al2O3 的二次电子发射特性。与各向同性晶体 Cu 不同，密度泛函理论计算显示 Al2O3 在各个方向上与 q 有关的能量损失函数是不同的。因此，在蒙特卡罗方法中引入了插值算法，以确定电子的能量损失和非弹性平均自由路径。模拟结果与实验数据十分吻合。这种方法可进一步用于模拟其他各向异性晶体材料的二次发射率。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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An extension of first principle combined Monte Carlo method to simulate secondary electron yield of anisotropic crystal Al2O3

An extension of a first-principle combined Monte Carlo method is proposed in this work to obtain the secondary electron emission characteristics of anisotropic crystal Al2O3. Unlike isotropic crystal Cu, density functional theory calculations reveal that the q-dependent energy loss function of Al2O3 in all directions is different. Therefore, an interpolation algorithm is introduced in the Monte Carlo method to determine the loss of energy and inelastic mean free path of electrons. The simulation results are in good agreement with experimental data. This method can be further used to simulate the secondary emission yield of other anisotropic crystal materials.

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来源期刊

Journal of Applied Physics 物理-物理：应用

CiteScore

5.40

自引率

9.40%

发文量

1534

审稿时长

2.3 months

期刊介绍： The Journal of Applied Physics (JAP) is an influential international journal publishing significant new experimental and theoretical results of applied physics research. Topics covered in JAP are diverse and reflect the most current applied physics research, including: Dielectrics, ferroelectrics, and multiferroics- Electrical discharges, plasmas, and plasma-surface interactions- Emerging, interdisciplinary, and other fields of applied physics- Magnetism, spintronics, and superconductivity- Organic-Inorganic systems, including organic electronics- Photonics, plasmonics, photovoltaics, lasers, optical materials, and phenomena- Physics of devices and sensors- Physics of materials, including electrical, thermal, mechanical and other properties- Physics of matter under extreme conditions- Physics of nanoscale and low-dimensional systems, including atomic and quantum phenomena- Physics of semiconductors- Soft matter, fluids, and biophysics- Thin films, interfaces, and surfaces