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Defect dynamics in the presence of excess energetic carriers and high electric fields in wide-gap semiconductors 宽隙半导体中存在过量高能载流子和高电场时的缺陷动力学
Pub Date : 2024-05-16 DOI: 10.1063/5.0203047
Andrew O’Hara, Ronald D. Schrimpf, Daniel M. Fleetwood, Sokrates T. Pantelides
Irradiation of semiconductors by energetic beams generates excess electrons and holes and may cause device degradation or failure. Both gradual degradation by total ionizing radiation (TID) and sudden degradation/failure (soft/hard breakdown) by a combination of energetic heavy ions and high voltages (typically single-event effects or SEEs) are mediated by excess carriers. The role of defect dynamics in TID degradation has been adequately understood by a combination of experiments and density-functional-theory (DFT) quantum calculations, but little has been done so far to document a role for ion-induced defects in SEE. Here, we report proof-of-principle DFT calculations in a model cubic GaN system for two defect-related excess-carrier phenomena that can play a role in various forms of device degradation and failure. The first phenomenon is the existence, dynamics, and potential roles of defect-induced quasi-localized “resonant states” in the energy-band continua. These states can enhance TID-excess-carrier and hot-carrier degradation. Furthermore, they evolve and multiply during energetic-ion-induced atom recoils and defect creation (displacement damage) and can potentially serve as excess-carrier conduction paths in SEE. The second phenomenon is the conversion of isolated vacancies into nanovoids that can participate in the formation of conducting defect “nanowires” dressed by resonances or in explosive SEE hard breakdowns.
高能束辐照半导体会产生过量电子和空穴,并可能导致器件降解或失效。无论是全电离辐射(TID)导致的渐进降解,还是高能重离子和高电压组合导致的突然降解/失效(软/硬击穿)(典型的单次事件效应或 SEE),都是由过剩载流子介导的。缺陷动力学在 TID 降解中的作用已通过实验和密度泛函理论(DFT)量子计算得到充分理解,但迄今为止,在记录离子诱导缺陷在 SEE 中的作用方面所做的工作还很少。在此,我们报告了在一个模型立方氮化镓系统中对两种与缺陷相关的过剩载流子现象进行的原理性 DFT 计算,这两种现象可能在各种形式的器件降解和失效中发挥作用。第一种现象是能带连续体中缺陷诱导的准局域 "共振态 "的存在、动力学和潜在作用。这些态会增强 TID 超载流子和热载流子降解。此外,在高能离子诱导的原子反冲和缺陷产生(位移损伤)过程中,这些态会发生演变和增殖,并有可能成为 SEE 中的过剩载流子传导路径。第二种现象是孤立空位转化为纳米空位,它们可参与形成由共振或爆炸性 SEE 硬击穿穿戴的导电缺陷 "纳米线"。
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引用次数: 0
Perspective on electrically active defects in β-Ga2O3 from deep-level transient spectroscopy and first-principles calculations 从深层次瞬态光谱和第一原理计算透视 β-Ga2O3 中的电活性缺陷
Pub Date : 2024-05-16 DOI: 10.1063/5.0205950
Amanda Langørgen, Lasse Vines, Y. Kalmann Frodason
The ultra-wide bandgap of gallium oxide provides a rich plethora of electrically active defects. Understanding and controlling such defects is of crucial importance in mature device processing. Deep-level transient spectroscopy is one of the most sensitive techniques for measuring electrically active defects in semiconductors and, hence, a key technique for progress toward gallium oxide-based components, including Schottky barrier diodes and field-effect transistors. However, deep-level transient spectroscopy does not provide chemical or configurational information about the defect signature and must, therefore, be combined with other experimental techniques or theoretical modeling to gain a deeper understanding of the defect physics. Here, we discuss the current status regarding the identification of electrically active defects in beta-phase gallium oxide, as observed by deep-level transient spectroscopy and supported by first-principles defect calculations based on the density functional theory. We also discuss the coordinated use of the experiment and theory as a powerful approach for studying electrically active defects and highlight some of the interesting but challenging issues related to the characterization and control of defects in this fascinating material.
氧化镓的超宽带隙提供了大量丰富的电活性缺陷。了解和控制这些缺陷对于成熟的器件加工至关重要。深电平瞬态光谱法是测量半导体中电活性缺陷的最灵敏技术之一,因此也是开发基于氧化镓的元件(包括肖特基势垒二极管和场效应晶体管)的关键技术。然而,深层次瞬态光谱并不能提供有关缺陷特征的化学或构型信息,因此必须与其他实验技术或理论建模相结合,才能更深入地了解缺陷物理。在此,我们讨论了通过深层瞬态光谱观察到的、基于密度泛函理论的第一原理缺陷计算所支持的 beta 相氧化镓中电活性缺陷的识别现状。我们还讨论了如何协调使用实验和理论作为研究电活性缺陷的有力方法,并强调了与这种迷人材料中缺陷的表征和控制有关的一些有趣但具有挑战性的问题。
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引用次数: 0
Machine learning aided understanding and manipulating thermal transport in amorphous networks 机器学习辅助理解和操纵非晶网络中的热传输
Pub Date : 2024-05-16 DOI: 10.1063/5.0200779
Changliang Zhu, Tianlin Luo, Baowen Li, Xiangying Shen, Guimei Zhu
Thermal transport plays a pivotal role across diverse disciplines, yet the intricate relationship between amorphous network structures and thermal conductance properties remains elusive due to the absence of a reliable and comprehensive network’s dataset to be investigated. In this study, we have created a dataset comprising multiple amorphous network structures of varying sizes, generated through a combination of the node disturbance method and Delaunay triangulation, to fine-tune an initially random network toward both increased and decreased thermal conductance C. The tuning process is guided by the simulated annealing algorithm. Our findings unveil that C is inversely dependent on the normalized average shortest distance Lnorm connecting heat source nodes and sink nodes, which is determined by the network topological structure. Intuitively, the amorphous network with increased C is associated with an increased number of bonds oriented along the thermal transport direction, which shortens the heat transfer distance from the source to sink node. Conversely, thermal transport encounters impedance with an augmented number of bonds oriented perpendicular to the thermal transport direction, which is demonstrated by the increased Lnorm. This relationship can be described by a power law C=Lnormα, applicable to the diverse-sized amorphous networks we have investigated.
热传导在不同学科中发挥着举足轻重的作用,但由于缺乏可靠、全面的网络数据集,非晶网络结构与热传导特性之间错综复杂的关系仍然难以捉摸。在这项研究中,我们创建了一个由多个不同大小的非晶网络结构组成的数据集,该数据集是通过节点扰动法和德劳内三角测量法结合生成的,用于微调一个初始随机网络,使其热导率 C 既增加又减少。我们的研究结果表明,C 与连接热源节点和水槽节点的归一化平均最短距离 Lnorm 成反比,而 Lnorm 由网络拓扑结构决定。直观地说,C 越大的无定形网络与沿热传导方向的键的数量增加有关,从而缩短了从热源节点到汇节点的热传导距离。相反,当垂直于热传输方向的键的数量增加时,热传输就会遇到阻抗,Lnorm 的增加就证明了这一点。这种关系可以用幂律 C=Lnormα 来描述,适用于我们研究的各种尺寸的非晶网络。
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引用次数: 0
Modification of transition pathways in polarized resonance Raman spectroscopy for carbon nanotubes by highly confined near-field light 高约束近场光改变碳纳米管偏振共振拉曼光谱的转变路径
Pub Date : 2024-05-15 DOI: 10.1063/5.0204121
Yuto Fujita, Norihiko Hayazawa, Maria Vanessa Balois-Oguchi, Takuo Tanaka, Tomoko K. Shimizu
We observed a modification of transition pathways in polarized resonance Raman spectroscopy during tip-enhanced Raman spectroscopy (TERS) analysis of metallic carbon nanotubes (CNTs). At a spatial resolution reaching up to the sub-nanometer regime, the signal intensity of the typical D-band is observed to be even higher than the intensity of the G-band all over the probed CNTs in TERS imaging. The measured D-band is attributed to the non-vertical transitions of electrons in k-space that are facilitated by highly confined near-field light at the tip–sample junction of our scanning tunneling microscope based TERS system. The D-band signal was observed even when the CNTs were excited by light polarized perpendicular to the tube axis that corresponds to electronic excitations between different cutting line numbers of a CNT. By combining the electron pathways brought about by both the near-field light and its polarization, we found a unique optical transition of electrons of CNTs in near-field Raman spectroscopy.
在对金属碳纳米管(CNTs)进行针尖增强拉曼光谱(TERS)分析时,我们观察到偏振共振拉曼光谱的转变路径发生了变化。在空间分辨率达到亚纳米级的情况下,在 TERS 成像中观察到典型的 D 波段信号强度甚至高于整个探测 CNT 的 G 波段信号强度。测量到的 D 波段归因于电子在 k 空间的非垂直跃迁,这种跃迁在我们基于扫描隧道显微镜的 TERS 系统的尖端-样品交界处的高度约束近场光中得到了促进。即使 CNT 被垂直于管轴的偏振光激发,也能观察到 D 波段信号,这与 CNT 不同切割线数之间的电子激发相对应。通过结合近场光及其偏振带来的电子路径,我们发现了近场拉曼光谱中独特的 CNT 电子光学转变。
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引用次数: 0
Frequency mismatch analysis of hemispherical shell resonators with both radius and thickness imperfections 具有半径和厚度缺陷的半球形外壳谐振器的频率失配分析
Pub Date : 2024-05-15 DOI: 10.1063/5.0202421
Kaixin Deng, Libin Zeng, Yao Pan, Yonglei Jia, Yiming Luo, Yunfeng Tao, Jie Yuan
The hemispherical shell resonator (HSR) is the core element of the hemispherical resonator gyroscope (HRG), and its frequency mismatch is a key property influencing gyroscope accuracy. Investigating the mechanism of frequency mismatch is vital for improving the quality of HSRs and performance of HRGs. Midsurface radius imperfections and thickness imperfections are two principal causes of frequency mismatch, but their combined effects have rarely been discussed. This paper develops a model to comprehensively analyze the frequency mismatch of HSRs with both radius and thickness imperfections. The model derives a quantitative relation between the frequency mismatch and the two imperfections, and provides principles for evaluating dominant imperfections. To validate the model, we conduct experiments on a batch of 12 HSRs with random geometric imperfections. We apply the model in calculating the theoretical frequency mismatches of these HSRs, and the results agree well with the experimental data. The experiment also confirms that for macro-HSRs, thickness imperfections have a larger impact than radius imperfections, and the frequency mismatch is approximately linear to the fourth thickness harmonic. Our research can be a useful reference for the design and fabrication of HSRs and may open new possibilities for high-precision manufacture of HRGs.
半球壳谐振器(HSR)是半球谐振器陀螺仪(HRG)的核心元件,其频率失配是影响陀螺仪精度的关键特性。研究频率失配的机理对于提高 HSR 的质量和 HRG 的性能至关重要。中表面半径缺陷和厚度缺陷是频率失配的两个主要原因,但很少有人讨论它们的综合影响。本文建立了一个模型,以全面分析具有半径和厚度缺陷的 HSR 的频率失配。该模型得出了频率失配与两种缺陷之间的定量关系,并提供了评估主要缺陷的原则。为了验证该模型,我们在一批具有随机几何缺陷的 12 个 HSR 上进行了实验。我们应用该模型计算了这些高铁的理论频率失配,结果与实验数据非常吻合。实验还证实,对于宏HSR,厚度缺陷比半径缺陷的影响更大,频率失配与四次厚度谐波近似成线性关系。我们的研究可以为 HSR 的设计和制造提供有益的参考,并为 HRG 的高精度制造开辟了新的可能性。
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引用次数: 0
Near-infrared imaging of heat transfer behavior between gadolinium and fluid during magnetization/demagnetization process of magnetocaloric effect 磁致效应磁化/去磁过程中钆与流体之间热传递行为的近红外成像
Pub Date : 2024-05-15 DOI: 10.1063/5.0207290
T. Nguyen, Naoto Kakuta, K. Uchida, Hosei Nagano
This paper reports on the application of a near-infrared (NIR) imaging system for visualizing heat transfer dynamics from a bulk gadolinium (Gd) sample to the surrounding water during the magnetization/demagnetization process of the magnetocaloric effect (MCE). The suggested approach relied on the spectral variation in water absorption band at 1150 nm wavelength within the NIR spectrum. An experimental setup integrated a telecentric uniform-illumination system, a halogen lamp, and an NIR camera to enable real-time monitoring of a single magnetization and demagnetization cycle induced by an external magnetic field, which was generated by a permanent-magnet-based magnetic circuit. Two-dimensional absorbance images captured during this cycle clearly depicted the thermal energy generated by the MCE in water. Furthermore, an analysis of the thermal boundary layer and the quantification of heat transfer from Gd to water provided insights into the dynamics over time. These results indicated the potential of our NIR imaging techniques in optimizing thermal–fluid interactions within MCE systems, thereby improving the design and efficiency of magnetic refrigeration systems.
本文报告了应用近红外(NIR)成像系统观察磁致效应(MCE)磁化/去磁过程中从块状钆(Gd)样品到周围水体的热传导动态。所建议的方法依赖于近红外光谱中 1150 纳米波长水吸收带的光谱变化。实验装置集成了远心均匀照明系统、卤素灯和近红外摄像机,可实时监测由永磁磁路产生的外磁场诱导的单次磁化和退磁循环。在这一循环过程中捕获的二维吸光度图像清楚地描绘了 MCE 在水中产生的热能。此外,对热边界层的分析以及从钆到水的热传导的量化,也让我们对随时间变化的动态有了更深入的了解。这些结果表明了我们的近红外成像技术在优化 MCE 系统内热流体相互作用方面的潜力,从而提高了磁制冷系统的设计和效率。
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引用次数: 0
Structural heterogeneity and plasticity of a Zr-based metallic glass modulated by high-temperature deformation 高温变形调制的锆基金属玻璃的结构异质性和可塑性
Pub Date : 2024-05-15 DOI: 10.1063/5.0204346
Wenting Lu, Bo Huang, Shansi Liao, Penghua Liu, Hui Lv, Jiayi Wu, Jun Yi, Qing Wang, Gang Wang
Metallic glasses (MGs) are of high strength but limited plasticity at room temperature (RT) due to localized shear in the intrinsically heterogeneous structure. Here, we investigate the variation of structural heterogeneity and plasticity of a Zr-based MG after high-temperature (T) tension under different stresses (σ) at 579 K (0.9Tg, where Tg is the glass transition temperature). The correlation length (ξ) of the heterogeneous structure and the average Young's modulus (E¯) increase with σ when σ is below 160 MPa; when σ exceeds 160 MPa, both ξ and E¯ decrease with σ, leading to the improvement of the plasticity. This research could be enlightening for improving the plasticity of MGs at RT through tuning their structural heterogeneity with high-T deformation.
金属玻璃(MGs)具有很高的强度,但由于其内在异质结构中的局部剪切作用,在室温(RT)下塑性有限。在此,我们研究了一种锆基 MG 在 579 K(0.9Tg,其中 Tg 为玻璃化转变温度)不同应力 (σ)作用下受到高温 (T) 拉伸后结构异质性和塑性的变化。当 σ 低于 160 MPa 时,异质结构的相关长度(ξ)和平均杨氏模量(E¯)随 σ 的增大而增大;当 σ 超过 160 MPa 时,ξ 和 E¯ 均随σ 的增大而减小,从而提高了塑性。这项研究对于通过高T变形调整MG的结构异质性来改善MG在RT下的塑性具有启发意义。
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引用次数: 0
The use of He buffer gas for moderating the plume kinetic energy during Nd:YAG-PLD growth of EuxY2−xO3 phosphor films 在 Nd:YAG-PLD 生长 EuxY2-xO3 磷光体薄膜过程中使用 He 缓冲气调节羽流动能
Pub Date : 2024-05-15 DOI: 10.1063/5.0196987
Shizuka Suzuki, Takuro Dazai, T. Tokunaga, Takahisa Yamamoto, Ryuzi Katoh, M. Lippmaa, Ryota Takahashi
We have investigated the He buffer gas process of moderating the kinetic energy of the pulsed laser deposition (PLD) plume during EuxY2−xO3 phosphor film growth. When using a neodymium yttrium aluminum garnet laser for PLD thin film growth, the kinetic energy of the ablation plumes can be high enough to cause the formation of point defects in the film. The buffer gas pressure is an important process parameter in PLD film growth. We find that the presence of the He buffer gas reduces the kinetic energy of the laser deposition plume through many low-angle collisions in the gas phase by a factor of 7 without reducing the deposition rate. This is because He is much lighter than any of the elements in the plume and it does not affect the composition of the oxide films. Consequently, the resputtering of the Y2O3 film surface by the plume was significantly suppressed in the presence of the He gas moderator, leading to a decrease of the defect density in the Y2O3 films. The improvement of the film quality was verified by a systematic analysis of time-resolved photoluminescence (PL) data for EuxY2−xO3 composition–gradient films. The PL lifetime and intensity of Eu0.2Y1.8O3, which shows the highest PL intensity, increased by 13.3% and 36.4%, respectively, when the He gas moderation process was used. The He buffer gas process is applicable to the PLD growth of the other oxide materials as well, where the reduction of the kinetic energy of the plume would bring the PLD process closer to the molecular beam epitaxy growth condition.
我们研究了在 EuxY2-xO3 荧光粉薄膜生长过程中调节脉冲激光沉积(PLD)羽流动能的 He 缓冲气体过程。当使用钕钇铝石榴石激光器进行 PLD 薄膜生长时,烧蚀羽流的动能会高到足以导致薄膜中形成点缺陷。缓冲气体压力是 PLD 薄膜生长过程中的一个重要工艺参数。我们发现,在不降低沉积速率的情况下,He 缓冲气体的存在可通过气相中的多次低角度碰撞将激光沉积羽流的动能降低 7 倍。这是因为 He 比羽流中的任何元素都要轻得多,而且不会影响氧化物薄膜的成分。因此,在 He 气体慢化剂存在的情况下,烟流对 Y2O3 薄膜表面的重溅射被显著抑制,从而降低了 Y2O3 薄膜的缺陷密度。通过系统分析 EuxY2-xO3 成分梯度薄膜的时间分辨光致发光 (PL) 数据,验证了薄膜质量的改善。使用 He 气体缓和工艺后,Eu0.2Y1.8O3 的 PL 寿命和强度分别提高了 13.3% 和 36.4%,而 Eu0.2Y1.8O3 的 PL 强度最高。He 缓冲气体工艺也适用于其他氧化物材料的 PLD 生长,减少羽流的动能将使 PLD 工艺更接近分子束外延生长条件。
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引用次数: 0
230-fold Enhancement of second-harmonic generation by coupled double resonances in a dolmen-type gold metasurface 多尔曼型金元表面耦合双共振的二次谐波生成增强了 230 倍
Pub Date : 2024-05-15 DOI: 10.1063/5.0205205
Xiaoteng Sun, Lili Gui, Hailun Xie, Yiwen Liu, Kun Xu
Optical metasurfaces, artificial planar nanostructures composed of subwavelength meta-atoms, have attracted significant attention due to their ability to tailor optical nanoscale properties, making them a versatile platform for shaping light in both linear and nonlinear regimes. This paper reports on the realization of second harmonic generation (SHG) enhancement based on a dolmen-type gold metasurface containing two resonances. Nonlinear scattering theory is employed to numerically investigate the SHG enhancement phenomenon in the resonant metasurface. The periodic dolmen-type gold metasurface introduces a diffraction coupling effect between Fano resonance and surface lattice resonance (SLR), providing strong local-field enhancement and significantly enhancing the nonlinear effect. We analyze the influence of the coupling between Fano resonance and SLR on the SHG intensity and achieve a 230-fold enhancement in SHG intensity compared to the single resonance case by adjusting the periodicity of the metasurface. The SHG-enhanced gold metasurface may find applications in sensing, imaging, optical computing, and integrated nonlinear optics.
光学元表面是由亚波长元原子组成的人造平面纳米结构,因其能够定制光学纳米级特性而备受关注,成为在线性和非线性状态下塑造光线的多功能平台。本文报告了基于包含两个共振的多尔曼型金元面实现二次谐波发生(SHG)增强的情况。本文采用非线性散射理论对共振元表面的 SHG 增强现象进行了数值研究。周期性多门型金元面在法诺共振和表面晶格共振(SLR)之间引入了衍射耦合效应,提供了强大的局部场增强,并显著增强了非线性效应。我们分析了法诺共振和表面晶格共振之间的耦合对 SHG 强度的影响,并通过调整元表面的周期性实现了 SHG 强度比单共振情况下增强 230 倍。SHG 增强金元表面可应用于传感、成像、光学计算和集成非线性光学。
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引用次数: 0
Enhanced second-order nonlinear susceptibility in type-II asymmetric quantum well structures II 型非对称量子阱结构中增强的二阶非线性易感性
Pub Date : 2024-05-15 DOI: 10.1063/5.0174179
Stephen T. Schaefer, Zheng Ju, Xiaoyang Liu, Xin Qi, Jacob B. Khurgin, Yong-Hang Zhang
Asymmetric quantum wells (AQWs) utilizing interband transitions enhance second-order susceptibility over a wide wavelength range compared to natural crystals. The nonlinear susceptibility is further enhanced in AQWs with type-II band alignment as compared to type-I band alignment, a result of the larger interband charge shift. This enhancement is demonstrated in this work by analyzing three type-I and type-II AQW designs based on the lattice-matched InP/AlGaInAs materials systems using the envelope wavefunction approximation. The calculated interband second-order susceptibility tensor elements in type-II structures range between 20 and 1.60 × 103 pm/V for nearly resonant optical rectification and difference frequency generation applications at near-infrared and terahertz wavelengths, an improvement of nearly 1 order of magnitude over the type-I structures and 1–2 orders of magnitude over natural crystals such as LiNbO3, KTiOPO4 (KTP), or GaAs. A factor of 2–3 further enhancement of the tensor elements is achieved by optimizing the well widths and band offsets of the type-II asymmetric quantum wells. The type-II structure can be implemented in other material systems spanning the longwave infrared to visible wavelengths, enhancing nonlinear susceptibility for various applications, including photonic integrated circuits.
与天然晶体相比,利用带间跃迁的不对称量子阱(AQWs)可在很宽的波长范围内提高二阶电感。与 I 型带排列相比,具有 II 型带排列的非对称量子阱的非线性电感进一步增强,这是由于带间电荷转移更大的结果。本研究利用包络波函数近似法分析了基于晶格匹配的 InP/AlGaInAs 材料系统的三种 I 型和 II 型 AQW 设计,证明了这种增强。计算得出的 II 型结构带间二阶感性张量元素在 20 到 1.60 × 103 pm/V 之间,适用于近红外和太赫兹波长的近谐振光整流和差频发生应用,比 I 型结构提高了近 1 个数量级,比 LiNbO3、KTiOPO4 (KTP) 或 GaAs 等天然晶体提高了 1-2 个数量级。通过优化 II 型非对称量子阱的阱宽和带偏移,张量元素可进一步提高 2-3 倍。这种 II 型结构可应用于从长波红外到可见光波长的其他材料系统中,从而增强非线性感性,以满足包括光子集成电路在内的各种应用。
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引用次数: 0
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Journal of Applied Physics
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