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Optimized Cu/Fe doped Boron Nitride Nanoribbons as nanoscale interconnect: DFT Investigation 作为纳米级互连器件的优化铜/铁掺杂氮化硼纳米带:DFT 研究
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109050
This study incorpates Density Functional Theory (DFT) to investigate the influence of copper (Cu) and Iron (Fe) atom passivation on Boron Nitride Nanoribbons (ZBNRs). Through meticulous analysis, we explore their electronic and stuctrural properties, particularly focusing on edge states. 2Fe ZBNR shows the highest stability (−9.12eV) as compared other configurations. Calculation reveals that increased stability with escalating atom concentration. Band structure and Density of States (DOS) are examined, along with the viability of passivated ZBNRs as a application of metal interconnects. 1Fe ZBNR gives the highest Fermi energy((-4.46eV). Using different configurations of ZBNRs, we model nanoscale interconnect application. We analyze their efficacy interms of delay and other parameters. 1Cu ZBNR shows lowest interconnect delay (26.3us) as compared to other configurations. This exploration contributes to understanding the potential of BNRs in nanoelectronics interconnect.
本研究采用密度泛函理论(DFT)研究铜(Cu)和铁(Fe)原子钝化对氮化硼纳米带(ZBNRs)的影响。通过细致的分析,我们探索了它们的电子和结构特性,尤其是边缘态。与其他构型相比,2Fe ZBNR 显示出最高的稳定性(-9.12eV)。计算表明,随着原子浓度的增加,稳定性也在增加。我们还研究了带结构和状态密度 (DOS),以及钝化 ZBNR 作为金属互连器件应用的可行性。1Fe ZBNR 具有最高的费米能(-4.46eV)。我们使用不同配置的 ZBNRs 建立了纳米级互连应用模型。我们分析了它们在延迟和其他参数方面的功效。与其他配置相比,1Cu ZBNR 显示出最低的互连延迟(26.3us)。这一探索有助于了解 BNR 在纳米电子互连中的潜力。
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引用次数: 0
Correlation of reverse dark current-voltage characteristics and gamma detection properties of a p-CdTe/n-CdTe/n+-Si vertical diode-type radiation detector p-CdTe/n-CdTe/n+-Si 垂直二极管型辐射探测器的反向暗电流-电压特性与伽马检测特性的相关性
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109039
The reverse dark current mechanism of a p-CdTe/n-CdTe/n+-Si vertical diode-type gamma ray detector, fabricated by growing epitaxial CdTe on Si substrates was studied and corelated with the detector's gamma detection properties. The detector dark current deviated from the Shockley-Reed-Hall (SRH) generation mechanism but showed tunneling was the dominant process. The dark current was strongly controlled by the dislocation densities and their distribution in the CdTe epilayer. Detectors that exhibited poor gamma detection properties had high dislocation densities and had large and nearly temperature independent dark currents. Good working detectors, on the other hand, showed small dark currents with a clear temperature dependence. These working detectors, fabricated with optimized crystal growth techniques, had a dislocation density nearly an order of magnitude lower than those of non-working or poorly working detectors.
研究了通过在硅衬底上生长外延碲化镉而制造的 p-CdTe/n-CdTe/n+-Si 垂直二极管型伽马射线探测器的反向暗电流机制,并将其与探测器的伽马射线探测特性联系起来。探测器的暗电流偏离了肖克利-里德-霍尔(SRH)的产生机制,但显示隧道效应是主要过程。暗电流在很大程度上受碲化镉外延层中位错密度及其分布的控制。伽马检测性能较差的探测器具有较高的位错密度,暗电流较大且几乎与温度无关。另一方面,工作性能好的探测器暗电流较小,且明显与温度有关。这些工作探测器采用优化的晶体生长技术制造,其位错密度比不工作或工作性能差的探测器低近一个数量级。
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引用次数: 0
Potential of two-dimensional AgAlP2Se6 monolayer for high-efficiency photocatalytic hydrogen production 二维 AgAlP2Se6 单层在高效光催化制氢方面的潜力
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109040
In recent years, two-dimensional (2D) photocatalytic materials have garnered significant attention from researchers because of their high specific surface area and numerous active sites for photocatalytic reactions. However, many 2D photocatalytic materials exhibit low photogenerated carrier mobility and easy recombination of photogenerated electron-hole pairs, leading to poor photocatalytic performance. In this study, we propose and investigate AgAlP2Se6 monolayers theoretically for the first time. Through first-principle calculations, we find that AgAlP2Se6 monolayers possess good mechanical, thermal, and kinetic stabilities and exhibit a high carrier utilization rate. The electron mobility of the AgAlP2Se6 monolayer is 14.77 times higher than the hole mobility. This significant mobility difference helps to inhibit the recombination of electron-hole pairs, thereby improving photocatalytic efficiency. The solar-to-hydrogen conversion efficiency (STH) reaches 18.10 %, significantly exceeding the critical value (10 %) for the commercial application of photocatalytic water decomposition. Therefore, we predict that AgAlP2Se6 monolayers are a promising photocatalytic material capable of playing a significant role in photocatalytic water decomposition and other fields.
近年来,二维(2D)光催化材料因其比表面积大、光催化反应活性位点多而备受研究人员关注。然而,许多二维光催化材料表现出光生载流子迁移率低、光生电子-空穴对易重组等问题,导致光催化性能不佳。在本研究中,我们首次提出并从理论上研究了 AgAlP2Se6 单层。通过第一性原理计算,我们发现 AgAlP2Se6 单层具有良好的机械稳定性、热稳定性和动力学稳定性,并表现出较高的载流子利用率。AgAlP2Se6 单层的电子迁移率是空穴迁移率的 14.77 倍。这种显著的迁移率差异有助于抑制电子-空穴对的重组,从而提高光催化效率。太阳能到氢气的转化效率(STH)达到了 18.10%,大大超过了光催化水分解商业应用的临界值(10%)。因此,我们预测 AgAlP2Se6 单层是一种前景广阔的光催化材料,能够在光催化水分解和其他领域发挥重要作用。
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引用次数: 0
Fabrication of N-doped ZnO for evaluation of photocatalytic degradation of methylene blue, methyl orange and improved supercapacitor efficiency under redox-active electrolyte 制备掺杂 N 的氧化锌,用于评估亚甲基蓝和甲基橙的光催化降解以及在氧化还原活性电解质条件下提高超级电容器的效率
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109052
The fabrication of an N-doped ZnO nanocomposite was described in this study using hydrothermal methods at various temperatures (200–600 °C). The developed N-doped ZnO nanocomposite was also utilized to investigate supercapacitors and photocatalytic degradation of pigments. Improving ZnO supercapacitor and photocatalytic dye decomposition capabilities proved quite difficult. Consequently, it was essential to create an N-doped ZnO at various temperatures. This approach aims to improve photocatalytic dye degradation and energy storage in N-doped ZnO nanocomposites in a synergistic manner. As we evaluated the photocatalytic activity, the N-doped ZnO-600 °C nanocomposite showed better methylene blue (MB) and methyl orange (MO) degradation efficiency. In just 120 min of exposure to visible light, about 99 % and 99.1 % of the MB and MO deterioration was seen; in contrast, only 60.5 %, 70.2 %, 79.6 %, 84 %, and 99 % of the MB degradation and 57.7, 62, 61.6, 70.1, 76.9, 84.2, and 99.1 % was shown on the pure ZnO, TiO2 (P25), ZnO-200 °C, ZnO-400 °C, ZnO-600 °C, and N-ZnO 600 °C materials, respectively. The increased photocatalytic efficiency was ascribed to the synergistic effect, improved charge separation, and increased visible light absorption by the N-ZnO 600 °C nanocomposite. Using XRD, UV–vis DRS, PL, FE-SEM, and HR-TEM investigations, the structural, optical, and surface morphology of the produced catalyst were examined. Additionally, the produced material was used in potassium hydroxide (KOH) and redox additive electrolytes (RE) electrochemical supercapacitor performance. Comprehensive studies revealed that the N-ZnO electrode enhanced cycle voltammetry (CV), galvanostatic charge-discharge (GCD), rate ability, and reliability under redox additive electrolytes (RE) and potassium hydroxide (KOH). The inclusion of RE increased the efficiency even more, indicating the potential for advanced applications of energy storage. The highest specific capacitance of the ZnO electrode increased significantly from 159 Fg-1 in KOH to 498 Fg-1 at 1 Ag-1. The N-ZnO-600 °C electrode, on the other hand, demonstrated a maximum specific capacitance of 288 Fg-1 at 1 Ag-1 in KOH and a significantly higher specific capacitance of 762 Fg-1 at 1 Ag-1 in KOH + RE.
本研究采用水热法在不同温度(200-600 °C)下制备了掺杂 N 的氧化锌纳米复合材料。所开发的掺杂 N 的氧化锌纳米复合材料还被用于研究超级电容器和颜料的光催化降解。事实证明,提高氧化锌超级电容器和光催化染料分解能力相当困难。因此,必须在不同温度下制造出掺杂 N 的氧化锌。这种方法旨在以协同增效的方式提高掺杂 N 的氧化锌纳米复合材料的光催化染料降解和能量存储能力。在光催化活性评估中,掺杂 N 的 ZnO-600 ℃ 纳米复合材料显示出更好的亚甲基蓝(MB)和甲基橙(MO)降解效率。在短短 120 分钟的可见光照射下,亚甲基蓝和甲基橙的降解率分别为 99% 和 99.1%;相比之下,亚甲基蓝的降解率分别为 60.5%、70.2%、79.6%、84% 和 99%,甲基橙的降解率分别为 57.7%、62.6%、61.6% 和 99%。纯 ZnO、TiO2 (P25)、ZnO-200 ℃、ZnO-400 ℃、ZnO-600 ℃ 和 N-ZnO 600 ℃ 材料的降解率分别为 57%、62%、61.6%、70.1%、76.9%、84.2% 和 99.1%。光催化效率的提高归因于 N-ZnO 600 °C 纳米复合材料的协同效应、电荷分离的改善以及可见光吸收的增加。利用 XRD、UV-vis DRS、PL、FE-SEM 和 HR-TEM 研究了所制备催化剂的结构、光学和表面形态。此外,还将制得的材料用于氢氧化钾(KOH)和氧化还原添加剂电解质(RE)的电化学超级电容器性能。综合研究表明,在氧化还原添加剂电解质(RE)和氢氧化钾(KOH)中,N-氧化锌电极增强了循环伏安法(CV)、电静态充放电法(GCD)、速率能力和可靠性。加入 RE 后,效率进一步提高,这表明了先进储能应用的潜力。氧化锌电极的最高比电容从 KOH 中的 159 Fg-1 显著增加到 1 Ag-1 时的 498 Fg-1。另一方面,N-ZnO-600 °C 电极在 KOH 溶液中 1 Ag-1 时的最大比电容为 288 Fg-1,在 KOH + RE 溶液中 1 Ag-1 时的比电容为 762 Fg-1。
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引用次数: 0
Effect of a seed layer on the properties of CdZnTe thick films prepared by close-spaced sublimation method 种子层对近间隔升华法制备的 CdZnTe 厚膜性能的影响
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109054
In recent years, CdZnTe has attracted extensive attention due to its excellent properties. In this paper, CdZnTe thick films were prepared by close-spaced sublimation (CSS) method. An innovative method of introducing a seed layer is employed to enhance the performance of CdZnTe thick films and their devices. The effect of the seed layer on the properties of CdZnTe thick films was systematically analyzed. The results indicate that the seed layer significantly promotes the uniform distribution and preferred orientation of grains, thereby improving the crystalline quality of CdZnTe thick films. Additionally, the seed layer also enhances the performance of CdZnTe thick film ultraviolet photodetectors. The seed layer is thus a key factor in optimizing the performance of CdZnTe thick films, which is beneficial for promoting its applications in fields such as optoelectronic detection.
近年来,碲化镉(CdZnTe)因其优异的性能而受到广泛关注。本文采用近间隔升华(CSS)法制备了碲化镉(CdZnTe)厚膜。为了提高 CdZnTe 厚膜及其器件的性能,采用了引入种子层的创新方法。系统分析了种子层对 CdZnTe 厚膜性能的影响。结果表明,种子层能显著促进晶粒的均匀分布和优先取向,从而提高 CdZnTe 厚膜的结晶质量。此外,种子层还能提高 CdZnTe 厚膜紫外线光电探测器的性能。因此,种子层是优化 CdZnTe 厚膜性能的关键因素,有利于促进其在光电检测等领域的应用。
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引用次数: 0
Harnessing the half-metallicity and thermoelectric insights in Cs2AgMBr6 (M = V, Mn, Ni) double halide perovskites: A DFT study 利用 Cs2AgMBr6(M = V、Mn、Ni)双卤化物包晶的半金属性和热电洞察力:DFT 研究
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109023
Herein, we undertake a detailed exploration of the structural stability, magneto-electronic behavior, and thermoelectric properties of Cs₂AgMBr₆ (M = V, Mn, Ni) halide double perovskites using first-principles approach. The study commences with a meticulous assessment of both structural stability and thermodynamic properties employing various metrics. Energy minimization across different phases, utilizing the Birch-Murnaghan equation of state, confirms the ferromagnetic phase as energetically favoured, supported by Curie-Weiss constants of 98 K, 100 K, and 150 K for V, Mn, and Ni-based perovskites, respectively. Mechanical properties, including hardness, stiffness, ductility, and fracture strength, are derived from the simulated elastic constants, ensuring the mechanical stability of the materials. Electronic structure analysis, performed using the PBE-GGA and GGA + mBJ functionals, reveals that Cs₂AgMBr₆ compounds exhibit half-metallic ferromagnetism, with 100 % spin polarization at the Fermi level. Analysis of the partial density of states highlights the half-metallic ferromagnetic mechanism, confirming predominant ferromagnetic order through parameters such as the exchange splitting energy (Δx), p-d exchange interaction energy (Δx(p-d)), crystal-field energy (Ecrys), and exchange constants (N₀α and N₀β). The negative values of the exchange constants further validated the dominant ferromagnetic order in both s-d and p-d interactions, with unpaired electrons contributing magnetic moments of 2 μB for V, 4 μB for Mn, and 1 μB for Ni-based perovskites. Also, the Curie temperatures are calculated as 385 K, 747 K, and 204 K for V, Mn, and Ni-based perovskites. The overall findings, which reveal 100 % spin polarization and high zT values, underscore the significant potential of Cs₂AgMBr₆ halide perovskites for advancing spintronics and thermoelectric applications.
在本文中,我们采用第一原理方法详细探讨了 Cs₂AgMBr₆(M = V、Mn、Ni)卤化物双包晶的结构稳定性、磁电子行为和热电性能。研究首先采用各种指标对结构稳定性和热力学性质进行了细致评估。利用 Birch-Murnaghan 状态方程对不同相位进行能量最小化,证实铁磁相在能量上处于有利地位,V、Mn 和 Ni 基包晶石的居里-韦斯常数分别为 98 K、100 K 和 150 K。力学性能,包括硬度、刚度、延展性和断裂强度,均由模拟弹性常数推导得出,确保了材料的力学稳定性。利用 PBE-GGA 和 GGA + mBJ 函数进行的电子结构分析表明,Cs₂AgMBr₆ 复合物表现出半金属铁磁性,费米级自旋极化达到 100%。对部分态密度的分析凸显了半金属铁磁机制,通过交换分裂能(Δx)、p-d 交换相互作用能(Δx(p-d))、晶体场能(Ecrys)和交换常数(N₀α 和 N₀β)等参数证实了铁磁秩序占主导地位。交换常数的负值进一步验证了在 s-d 和 p-d 相互作用中占主导地位的铁磁秩序,V 基包晶石的非配对电子产生的磁矩为 2 μB,Mn 基包晶石的磁矩为 4 μB,Ni 基包晶石的磁矩为 1 μB。此外,还计算出 V、Mn 和 Ni 基包晶石的居里温度分别为 385 K、747 K 和 204 K。这些发现揭示了 100% 的自旋极化和较高的 zT 值,强调了卤化铯₂AgMBr₆包晶石在推进自旋电子学和热电应用方面的巨大潜力。
{"title":"Harnessing the half-metallicity and thermoelectric insights in Cs2AgMBr6 (M = V, Mn, Ni) double halide perovskites: A DFT study","authors":"","doi":"10.1016/j.mssp.2024.109023","DOIUrl":"10.1016/j.mssp.2024.109023","url":null,"abstract":"<div><div>Herein, we undertake a detailed exploration of the structural stability, magneto-electronic behavior, and thermoelectric properties of Cs₂AgMBr₆ (M = V, Mn, Ni) halide double perovskites using first-principles approach. The study commences with a meticulous assessment of both structural stability and thermodynamic properties employing various metrics. Energy minimization across different phases, utilizing the Birch-Murnaghan equation of state, confirms the ferromagnetic phase as energetically favoured, supported by Curie-Weiss constants of 98 K, 100 K, and 150 K for V, Mn, and Ni-based perovskites, respectively. Mechanical properties, including hardness, stiffness, ductility, and fracture strength, are derived from the simulated elastic constants, ensuring the mechanical stability of the materials. Electronic structure analysis, performed using the PBE-GGA and GGA + mBJ functionals, reveals that Cs₂AgMBr₆ compounds exhibit half-metallic ferromagnetism, with 100 % spin polarization at the Fermi level. Analysis of the partial density of states highlights the half-metallic ferromagnetic mechanism, confirming predominant ferromagnetic order through parameters such as the exchange splitting energy (Δ<sub>x</sub>), <em>p-d</em> exchange interaction energy (Δ<sub>x</sub>(<em>p-d</em>)), crystal-field energy (<em>E</em><sub>crys</sub>), and exchange constants (N₀α and N₀β). The negative values of the exchange constants further validated the dominant ferromagnetic order in both <em>s-d</em> and <em>p-d</em> interactions, with unpaired electrons contributing magnetic moments of 2 μ<sub>B</sub> for V, 4 μ<sub>B</sub> for Mn, and 1 μ<sub>B</sub> for Ni-based perovskites. Also, the Curie temperatures are calculated as 385 K, 747 K, and 204 K for V, Mn, and Ni-based perovskites. The overall findings, which reveal 100 % spin polarization and high zT values, underscore the significant potential of Cs₂AgMBr₆ halide perovskites for advancing spintronics and thermoelectric applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537063","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Low-temperature soldering using Sn/Bi electrodeposited bilayer 使用锡/铋电沉积双电层进行低温焊接
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109056
Low-temperature soldering is a joining technology that attracts considerable attention in recent years due to its potential in energy saving and carbon reduction. Eutectic SnBi alloy is a common low-temperature solder. The material manufacturing using cost-effective electrodeposition suffers from composition control problem caused by very different reduction potentials between Sn and Bi. In this study, a Sn/Bi bilayer structure is constructed using electrodeposition and the microstructural evolution under thermal annealing is investigated in detail to evaluate its potential in replacement of eutectic SnBi alloy. Results show that interfacial liquation occurs rapidly in the Sn/Bi bilayer structure heated at 180 °C for only 5 s, and the bilayer structure completely transforms into a eutectic-like structure after 30 s. The microstructural evolution history is established with the help of phase diagram and electron microscopy examination. Shear test results indicate that the eutectic-like structure exhibits good mechanical property comparable to commercial eutectic SnBi solder paste. The rapid phase transformation feature and high shear strength make the Sn/Bi bilayer structure a promising candidate for low-temperature joining applications.
低温焊接是近年来备受关注的一种连接技术,因为它具有节能减碳的潜力。共晶锡铋合金是一种常见的低温焊料。由于锡和铋的还原电位存在很大差异,因此使用经济高效的电沉积方法制造材料存在成分控制问题。本研究利用电沉积技术构建了锡/铋双层结构,并详细研究了其在热退火条件下的微观结构演变,以评估其替代共晶锡铋合金的潜力。结果表明,锡/铋双层结构在 180 °C 下加热仅 5 秒钟就迅速发生界面液化,30 秒钟后双层结构完全转变为类共晶结构。剪切测试结果表明,类共晶结构具有良好的机械性能,可与商用共晶锡铋焊膏媲美。快速相变特征和高剪切强度使锡/铋双层结构成为低温连接应用的理想候选材料。
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引用次数: 0
A review of strategies to switch heterojunction system from type-II to S-scheme for photocatalytic applications 光催化应用中将异质结系统从 II 型转换为 S 型的策略综述
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109051
Although the formation of type-II heterojunctions increases the separation of photoinduced electron-hole pairs, their reduced redox potentials adversely affect photocatalytic performance. However, by adjusting the band positions and Fermi levels of the semiconductors, it is viable to switch the type of heterojunction from type-II to S-scheme, which not only improves the charge separation but also enhances the redox potential, resulting in excellent photocatalytic performance. While various excellent design strategies for switching the heterojunction from type-II to S-scheme have been established, there is a lack of related review papers to date. The current review highlights the distinction between type-II and S-scheme heterojunctions, focusing on the band positions and Fermi level conditions needed for photoinduced electron-hole pairs to adhere to either charge transfer mechanism. In addition, it particularly explains the recent excellent design strategies used to facilitate the switching of the heterojunctions from type-II to S-scheme. Finally, a brief outline of the challenges and novel research interests in the selected direction is provided, which can be of high relevance to the domain of heterojunction-type switching.
虽然 II 型异质结的形成增加了光诱导电子-空穴对的分离,但其降低的氧化还原电位会对光催化性能产生不利影响。然而,通过调整半导体的带位和费米级,可以将异质结的类型从 II 型转换为 S 型,这不仅能改善电荷分离,还能提高氧化还原电位,从而获得优异的光催化性能。虽然将异质结从 II 型转换为 S 型的各种优秀设计策略已经确立,但迄今为止还缺乏相关的综述论文。本综述强调了 II 型和 S 型异质结之间的区别,重点介绍了光诱导电子-空穴对坚持任一电荷转移机制所需的带位和费米级条件。此外,报告还特别解释了近期用于促进异质结从 II 型向 S 型转换的出色设计策略。最后,简要概述了所选方向的挑战和新的研究兴趣,这些挑战和兴趣可能与异质结类型转换领域高度相关。
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引用次数: 0
2D ripples and grooves formation on GaAs using different states of polarization of femtosecond pulses 利用飞秒脉冲的不同偏振态在砷化镓上形成二维波纹和沟槽
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109062
The formation of dotted and lined 2D nano- and microstructures on the surface of GaAs is demonstrated. These surface structures were devised using the vector 1030 nm, 250 fs laser beams of variable polarization (lineal, radial, and orthogonal) polarization. The annular and radial ripples were produced using radial and azimuthal polarizations of the laser pulses. Additionally, the formation of the grooves orthogonally placed with regard to the curved and radial ripples appeared with the increase of the number of laser shots on the same spot. This pattern was also observed when the laser beam was moved across the GaAs surface at a 50 kHz pulse repetition rate. This method of printing the unconventional 2D patterns allow for the formation of the complex surface structures.
展示了在砷化镓表面形成的点状和线状二维纳米和微结构。这些表面结构是利用矢量 1030 nm、250 fs 的可变极化(线性、径向和正交)激光束设计的。环形和径向波纹是利用激光脉冲的径向和方位偏振产生的。此外,随着同一光斑上激光发射次数的增加,与弧形波纹和径向波纹正交的凹槽也会形成。以 50 kHz 脉冲重复率在砷化镓表面移动激光束时,也能观察到这种图案。这种打印非常规二维图案的方法可以形成复杂的表面结构。
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引用次数: 0
Sb2Se3 and SbBiSe3 surface capping and biaxial strain Co-engineering for tuning the surface electronic properties of Bi2Se3 nanosheet- A density functional theory based investigation 调整 Bi2Se3 纳米片表面电子特性的 Sb2Se3 和 SbBiSe3 表面封装与双轴应变协同工程--基于密度泛函理论的研究
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-10-29 DOI: 10.1016/j.mssp.2024.109042
In this work, for the first time, a density functional theory (DFT) based comprehensive theoretical study is performed on the surface electronic properties of Bi2Se3 nanosheet in the presence of a surface capping layer as well as mechanical strain. The study systematically introduces a biaxial compressive and tensile strain up to 5 % in natural, Sb2Se3 surface capped, and SbBiSe3 surface capped Bi2Se3, and the subsequent effects on the electronic properties are assessed from the surface energy band (E-k) structure, the density of states (DOS), band edge energy and bandgap variations, surface conducting state localization, and Fermi surface spin-textures. The result demonstrates that the Sb2Se3 and SbBiSe3 surface capping layer delocalizes the surface Bloch states leading to inter-surface surface state hybridization through bulk and subsequent Dirac point annihilation with surface bandgap opening, and these effects is more prominent for Sb2Se3 surface capping with a bandgap opening of ∼9 meV. The application of biaxial compressive strain (tensile stress) can further localizes the surface Bloch states and thereby mitigate the surface bandgap opening in surface capped Bi2Se3. In contrast, the application of biaxial tensile strain (compressive stress) enhances the surface Bloch state delocalization leading to larger surface bandgap opening in surface capped Bi2Se3 and even introduces surface bandgap in natural Bi2Se3. The interplay of surface capping and strain also exhibits distinct influence on the spin-momentum locking, where the spin-chirality of the Fermi surface can be destroyed, restored, and even reversed through application of suitable biaxial strain in surface capped Bi2Se3. In essence, this work presents an extensive theoretical and design-level insight into the surface capping and biaxial strain co-engineering in Bi2Se3, which can potentially facilitate different topological transport for modern optoelectronics, spintronics, valleytronics, bulk photovoltaics applications of engineered nanostructured topological materials in the future.
在这项研究中,我们首次基于密度泛函理论(DFT)对存在表面封盖层和机械应变的 Bi2Se3 纳米片的表面电子特性进行了全面的理论研究。研究系统地在天然、Sb2Se3 表面封接和 SbBiSe3 表面封接的 Bi2Se3 中引入了高达 5% 的双轴压缩和拉伸应变,并从表面能带 (E-k) 结构、状态密度 (DOS)、带边能和带隙变化、表面导电态定位和费米表面自旋纹理等方面评估了其对电子特性的后续影响。研究结果表明,Sb2Se3 和 SbBiSe3 表面封盖层使表面布洛赫态脱域,导致表面态间通过块体杂化,随后发生狄拉克点湮灭并打开表面带隙,这些效应在带隙开度为∼9 meV 的 Sb2Se3 表面封盖层中更为突出。施加双轴压缩应变(拉应力)可进一步定位表面布洛赫态,从而减轻表面封端的 Bi2Se3 的表面带隙开度。相反,施加双轴拉伸应变(压应力)会增强表面布洛赫态的分散,导致表面封端的 Bi2Se3 产生更大的表面带隙开口,甚至会引入天然 Bi2Se3 的表面带隙。表面封接和应变的相互作用对自旋动量锁定也有明显的影响,通过在表面封接的 Bi2Se3 中施加适当的双轴应变,可以破坏、恢复甚至逆转费米表面的自旋手性。从本质上讲,这项研究从理论和设计层面对 Bi2Se3 的表面封接和双轴应变协同工程提出了广泛的见解,有可能在未来促进工程纳米结构拓扑材料在现代光电子学、自旋电子学、谷光电子学和体光电子学应用中的不同拓扑传输。
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引用次数: 0
期刊
Materials Science in Semiconductor Processing
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