首页 > 最新文献

Journal of Nonlinear Optical Physics & Materials最新文献

英文 中文
Author index Volume 32 作者索引第32卷
4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-07-28 DOI: 10.1142/s0218863523990011
Journal of Nonlinear Optical Physics & MaterialsVol. 32, No. 04, 2399001 (2023) Free AccessAuthor index Volume 32https://doi.org/10.1142/S0218863523990011Cited by:0 Previous AboutSectionsPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack CitationsRecommend to Library ShareShare onFacebookTwitterLinked InRedditEmail FiguresReferencesRelatedDetails Recommended Vol. 32, No. 04 Metrics History PDF download
非线性光学物理与材料学报。32, No. 04, 2399001(2023)免费访问作者索引卷32https://doi.org/10.1142/S0218863523990011Cited by:0 Previous AboutSectionsPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack citationsrecommended to Library ShareShare onFacebookTwitterLinked InRedditEmail FiguresReferencesRelatedDetails推荐卷32,No. 04 Metrics History PDF下载
{"title":"Author index Volume 32","authors":"","doi":"10.1142/s0218863523990011","DOIUrl":"https://doi.org/10.1142/s0218863523990011","url":null,"abstract":"Journal of Nonlinear Optical Physics & MaterialsVol. 32, No. 04, 2399001 (2023) Free AccessAuthor index Volume 32https://doi.org/10.1142/S0218863523990011Cited by:0 Previous AboutSectionsPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack CitationsRecommend to Library ShareShare onFacebookTwitterLinked InRedditEmail FiguresReferencesRelatedDetails Recommended Vol. 32, No. 04 Metrics History PDF download","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135557268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Applications of soft biomaterials based on organic and hybrid thin films deposited from the vapor phase 基于气相沉积的有机和杂化薄膜的软生物材料的应用
IF 2.7 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-07-10 DOI: 10.1088/2515-7639/ace5df
Sophie Marcelja, Lisanne Demelius, T. A. Ali, Margherita Aghito, Fabian Muralter, G. H. Rodríguez, M. Kräuter, K. Unger, Lukas Wolfsberger, A. Coclite
Soft biomaterials are a crucial component in several application fields. They are used, for example, in biomedical implants, biosensors, drug delivery systems as well as in tissue engineering. In parallel to extensive ongoing efforts to synthesize new materials, the development of means to tailor the materials’ surface properties and thus their interaction with the environment is an important field of research. This has led to the emergence of several surface modification techniques that enable the exploitation of biomaterials in a broader range of technologies. In particular, the use of functional thin films can enable a plethora of biomedical applications by combining advantageous bulk properties of the substrate (e.g. flexibility, lightweight, structural strength) with tailored surface properties of the thin film (e.g. enhancing/prevention of cell proliferation, controlled drug release). For some biomedical applications, thin films can also be the main functional components, e.g. in biosensors. The present review focuses on recent developments in the applications of soft biomaterials based on thin films deposited from the vapor phase. In the field of soft biomaterials, the possibility of depositing from the vapor phase—without the need for any solvents—offers the unprecedented benefit that no toxic leachables are included in the biomaterial. Further, due to the complete lack of solvents and chemicals overall being used in small quantities only, depositing thin films from the vapor phase can be a more sustainable choice than other techniques that are commonly used.
软质生物材料是许多应用领域的重要组成部分。例如,它们被用于生物医学植入物、生物传感器、药物输送系统以及组织工程。在不断努力合成新材料的同时,开发定制材料表面特性的方法以及它们与环境的相互作用是一个重要的研究领域。这导致了几种表面改性技术的出现,使生物材料的开发在更广泛的技术范围内。特别地,功能性薄膜的使用可以通过结合基材的有利体积特性(例如柔韧性,重量轻,结构强度)和薄膜的定制表面特性(例如增强/防止细胞增殖,控制药物释放)来实现大量的生物医学应用。对于一些生物医学应用,薄膜也可以是主要的功能部件,例如生物传感器。本文综述了近年来基于气相沉积薄膜的软质生物材料的研究进展。在软质生物材料领域,从气相沉积的可能性——不需要任何溶剂——提供了前所未有的好处,即生物材料中不含有毒的可浸出物。此外,由于完全缺乏溶剂和化学物质,总体上只使用少量,因此从气相沉积薄膜可能是比其他常用技术更可持续的选择。
{"title":"Applications of soft biomaterials based on organic and hybrid thin films deposited from the vapor phase","authors":"Sophie Marcelja, Lisanne Demelius, T. A. Ali, Margherita Aghito, Fabian Muralter, G. H. Rodríguez, M. Kräuter, K. Unger, Lukas Wolfsberger, A. Coclite","doi":"10.1088/2515-7639/ace5df","DOIUrl":"https://doi.org/10.1088/2515-7639/ace5df","url":null,"abstract":"Soft biomaterials are a crucial component in several application fields. They are used, for example, in biomedical implants, biosensors, drug delivery systems as well as in tissue engineering. In parallel to extensive ongoing efforts to synthesize new materials, the development of means to tailor the materials’ surface properties and thus their interaction with the environment is an important field of research. This has led to the emergence of several surface modification techniques that enable the exploitation of biomaterials in a broader range of technologies. In particular, the use of functional thin films can enable a plethora of biomedical applications by combining advantageous bulk properties of the substrate (e.g. flexibility, lightweight, structural strength) with tailored surface properties of the thin film (e.g. enhancing/prevention of cell proliferation, controlled drug release). For some biomedical applications, thin films can also be the main functional components, e.g. in biosensors. The present review focuses on recent developments in the applications of soft biomaterials based on thin films deposited from the vapor phase. In the field of soft biomaterials, the possibility of depositing from the vapor phase—without the need for any solvents—offers the unprecedented benefit that no toxic leachables are included in the biomaterial. Further, due to the complete lack of solvents and chemicals overall being used in small quantities only, depositing thin films from the vapor phase can be a more sustainable choice than other techniques that are commonly used.","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2023-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87097647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Requisites on material viscoelasticity for exceptional points in passive dynamical systems 被动动力系统中异常点的材料粘弹性要求
IF 2.7 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-07-03 DOI: 10.1088/2515-7639/ace381
Abhishek Gupta, R. Thevamaran
Recent progress in non-Hermitian physics and the notion of exceptional point (EP) degeneracies in elastodynamics have led to the development of novel metamaterials for the control of elastic wave propagation, hypersensitive sensors, and actuators. The emergence of EPs in a parity-time symmetric system relies on judiciously engineered balanced gain and loss mechanisms. Creating gain requires complex circuits and amplification mechanisms, making engineering applications challenging. Here, we report strategies to achieve EPs in passive non-Hermitian elastodynamic systems with differential loss derived from viscoelastic materials. We compare different viscoelastic material models and show that the EP emerges only when the frequency-dependent loss-tangent of the viscoelastic material remains nearly constant in the frequency range of operation. This type of loss tangent occurs in materials that undergo stress-relaxation over a broad spectrum of relaxation times, for example, materials that follow the Kelvin–Voigt fractional derivative (KVFD) model. Using dynamic mechanical analysis, we show that a few common viscoelastic elastomers, such as polydimethylsiloxane and polyurethane rubber, follow the KVFD behavior such that the loss tangent becomes almost constant after a particular frequency. The material models we present and the demonstration of the potential of a widely available material system in creating EPs pave the way for developing non-Hermitian metamaterials with hypersensitivity to perturbations or enhanced emissivity.
非厄米物理的最新进展和弹性动力学中异常点简并的概念导致了用于控制弹性波传播、超灵敏传感器和致动器的新型超材料的发展。在奇偶时间对称系统中出现的EPs依赖于明智地设计平衡的增益和损失机制。创建增益需要复杂的电路和放大机制,使工程应用具有挑战性。在这里,我们报告了在具有粘弹性材料微分损失的被动非厄米弹性动力系统中实现EPs的策略。我们比较了不同的粘弹性材料模型,并表明只有当粘弹性材料的频率相关损失切线在工作频率范围内保持接近恒定时,才会出现EP。这种类型的损耗正切发生在经历应力松弛的材料中,例如,遵循Kelvin-Voigt分数导数(KVFD)模型的材料。通过动态力学分析,我们发现一些常见的粘弹性弹性体,如聚二甲基硅氧烷和聚氨酯橡胶,遵循KVFD行为,使得损耗切线在特定频率后几乎保持不变。我们提出的材料模型以及广泛可用的材料系统在制造EPs方面的潜力的展示,为开发对扰动超敏感或增强发射率的非厄米特超材料铺平了道路。
{"title":"Requisites on material viscoelasticity for exceptional points in passive dynamical systems","authors":"Abhishek Gupta, R. Thevamaran","doi":"10.1088/2515-7639/ace381","DOIUrl":"https://doi.org/10.1088/2515-7639/ace381","url":null,"abstract":"Recent progress in non-Hermitian physics and the notion of exceptional point (EP) degeneracies in elastodynamics have led to the development of novel metamaterials for the control of elastic wave propagation, hypersensitive sensors, and actuators. The emergence of EPs in a parity-time symmetric system relies on judiciously engineered balanced gain and loss mechanisms. Creating gain requires complex circuits and amplification mechanisms, making engineering applications challenging. Here, we report strategies to achieve EPs in passive non-Hermitian elastodynamic systems with differential loss derived from viscoelastic materials. We compare different viscoelastic material models and show that the EP emerges only when the frequency-dependent loss-tangent of the viscoelastic material remains nearly constant in the frequency range of operation. This type of loss tangent occurs in materials that undergo stress-relaxation over a broad spectrum of relaxation times, for example, materials that follow the Kelvin–Voigt fractional derivative (KVFD) model. Using dynamic mechanical analysis, we show that a few common viscoelastic elastomers, such as polydimethylsiloxane and polyurethane rubber, follow the KVFD behavior such that the loss tangent becomes almost constant after a particular frequency. The material models we present and the demonstration of the potential of a widely available material system in creating EPs pave the way for developing non-Hermitian metamaterials with hypersensitivity to perturbations or enhanced emissivity.","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2023-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74611730","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Different healing characteristics of thiol-bearing molecules on CVD-grown MoS2 含硫醇分子对cvd生长的二硫化钼的不同愈合特性
IF 2.7 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-07-01 DOI: 10.1088/2515-7639/acdfff
Giovanna Feraco, O. D. Luca, Ali Syari’ati, Sardar Hameed, A. A. El Yumin, Jianting Ye, R. Agostino, P. Rudolf
Vacancies in atomically thin molybdenum disulphide play an essential role in controlling its optical and electronic properties, which are crucial for applications in sensorics, catalysis or electronics. For this reason, defect engineering employing thiol-terminated molecules is used to heal and/or functionalise defective nanosheets. In this work, chemical vapour deposition-grown MoS2 with different defect densities was functionalised with three molecules: 4-aminothiophenol (ATP), biphenyl-4-thiol (BPT) and 4-nitrothiophenol (NTP). The molecules’ efficacy in functionalising MoS2 was probed by x-ray photoelectron, Raman and photoluminescence (PL) spectroscopy. The results show that exposing a defective single layer of MoS2 to either ATP, BPT or NTP molecules heals the defects, however the chemical structure of these molecules affects the optical response and only for BPT the PL intensity increases.
原子薄二硫化钼中的空位在控制其光学和电子特性方面起着至关重要的作用,这对于传感器,催化或电子学的应用至关重要。因此,采用巯基末端分子的缺陷工程用于修复和/或功能化缺陷纳米片。在这项工作中,化学气相沉积生长的具有不同缺陷密度的MoS2被三种分子功能化:4-氨基噻吩(ATP),联苯-4-硫醇(BPT)和4-亚硝基噻吩(NTP)。通过x射线光电子光谱、拉曼光谱和光致发光光谱(PL)探测了分子对二硫化钼的功能化效果。结果表明,将有缺陷的MoS2单层暴露于ATP、BPT或NTP分子中可以修复缺陷,但这些分子的化学结构会影响光学响应,并且只有BPT会增加PL强度。
{"title":"Different healing characteristics of thiol-bearing molecules on CVD-grown MoS2","authors":"Giovanna Feraco, O. D. Luca, Ali Syari’ati, Sardar Hameed, A. A. El Yumin, Jianting Ye, R. Agostino, P. Rudolf","doi":"10.1088/2515-7639/acdfff","DOIUrl":"https://doi.org/10.1088/2515-7639/acdfff","url":null,"abstract":"Vacancies in atomically thin molybdenum disulphide play an essential role in controlling its optical and electronic properties, which are crucial for applications in sensorics, catalysis or electronics. For this reason, defect engineering employing thiol-terminated molecules is used to heal and/or functionalise defective nanosheets. In this work, chemical vapour deposition-grown MoS2 with different defect densities was functionalised with three molecules: 4-aminothiophenol (ATP), biphenyl-4-thiol (BPT) and 4-nitrothiophenol (NTP). The molecules’ efficacy in functionalising MoS2 was probed by x-ray photoelectron, Raman and photoluminescence (PL) spectroscopy. The results show that exposing a defective single layer of MoS2 to either ATP, BPT or NTP molecules heals the defects, however the chemical structure of these molecules affects the optical response and only for BPT the PL intensity increases.","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76355911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Direct observation of the magnetic anisotropy of an Fe(II) spin crossover molecular thin film Fe(II)自旋交叉分子薄膜磁各向异性的直接观察
IF 2.7 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-07-01 DOI: 10.1088/2515-7639/ace21a
Ashley S. Dale, Saeed Yazdani, T. K. Ekanayaka, Esha Mishra, Yuchen Hu, P. Dowben, J. Freeland, Jian Zhang, R. Cheng
In this work, we provide clear evidence of magnetic anisotropy in the local orbital moment of a molecular thin film based on the SCO complex [Fe(H2B(pz)2)2(bipy)] (pz = pyrazol−1−yl, bipy = 2,2′−bipyridine). Field dependent x-ray magnetic circular dichroism measurements indicate that the magnetic easy axis for the orbital moment is along the surface normal direction. Along with the presence of a critical field, our observation points to the existence of an anisotropic energy barrier in the high-spin state. The estimated nonzero coupling constant of ∼2.47 × 10−5 eV molecule−1 indicates that the observed magnetocrystalline anisotropy is mostly due to spin–orbit coupling. The spin- and orbital-component anisotropies are determined to be 30.9 and 5.04 meV molecule−1, respectively. Furthermore, the estimated g factor in the range of 2.2–2.45 is consistent with the expected values. This work has paved the way for an understanding of the spin-state-switching mechanism in the presence of magnetic perturbations.
在这项工作中,我们提供了基于SCO配合物[Fe(H2B(pz)2)2(bipy)]的分子薄膜的局部轨道矩磁各向异性的明确证据(pz = pyrazol−1−yl, bipy = 2,2 '−联吡啶)。磁场相关的x射线磁圆二色性测量表明,轨道矩的磁易轴沿表面法线方向。随着临界场的存在,我们的观测表明在高自旋态中存在各向异性能量势垒。估计的~ 2.47 × 10−5 eV分子−1的非零耦合常数表明,观察到的磁晶各向异性主要是由于自旋-轨道耦合。自旋和轨道各向异性分别为30.9和5.04 meV分子−1。此外,估计的g因子在2.2-2.45范围内与期望值一致。这项工作为理解磁扰动存在下的自旋状态切换机制铺平了道路。
{"title":"Direct observation of the magnetic anisotropy of an Fe(II) spin crossover molecular thin film","authors":"Ashley S. Dale, Saeed Yazdani, T. K. Ekanayaka, Esha Mishra, Yuchen Hu, P. Dowben, J. Freeland, Jian Zhang, R. Cheng","doi":"10.1088/2515-7639/ace21a","DOIUrl":"https://doi.org/10.1088/2515-7639/ace21a","url":null,"abstract":"In this work, we provide clear evidence of magnetic anisotropy in the local orbital moment of a molecular thin film based on the SCO complex [Fe(H2B(pz)2)2(bipy)] (pz = pyrazol−1−yl, bipy = 2,2′−bipyridine). Field dependent x-ray magnetic circular dichroism measurements indicate that the magnetic easy axis for the orbital moment is along the surface normal direction. Along with the presence of a critical field, our observation points to the existence of an anisotropic energy barrier in the high-spin state. The estimated nonzero coupling constant of ∼2.47 × 10−5 eV molecule−1 indicates that the observed magnetocrystalline anisotropy is mostly due to spin–orbit coupling. The spin- and orbital-component anisotropies are determined to be 30.9 and 5.04 meV molecule−1, respectively. Furthermore, the estimated g factor in the range of 2.2–2.45 is consistent with the expected values. This work has paved the way for an understanding of the spin-state-switching mechanism in the presence of magnetic perturbations.","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86891539","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Incorporation of tungsten or cobalt into TaN barrier layers controls morphology of deposited copper 钨或钴掺入钽阻挡层控制了沉积铜的形态
IF 2.7 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-06-30 DOI: 10.1088/2515-7639/acdeaa
Cara-Lena Nies, M. Nolan
Progress in semiconductor devices, which has enabled the information and communications technology explosion of the 21st century, has been driven by Moore’s Law and the accompanying aggressive scaling of transistors. However, it is now acknowledged that the currently used copper interconnects are becoming a bottleneck in sub-nm scaling. Semiconductor devices require a diffusion barrier and a seed layer in the volume available to the interconnect metal. This then limits the minimum size of the interconnect and copper suffers from a preference to form 3D islands which are non-conducting rather than conducting films. Therefore there is a pressing need to either replace copper, which has its own difficulties, or to reduce the volume taken up by the diffusion barrier and liner; ideally finding a single material displaying both properties is needed. We have previously shown that incorporation of Ru into the surface layer of TaN is a strong alternative to the usual TaN/Ta or TaN/Ru stacks. In this work we study other possible metals that can be incorporated into TaN, namely Co and W, which are less expensive and critical than Ru and can potentially outperform it. Our first principles density functional theory results from static relaxations and ab initio molecular dynamics show that there are several compositions of both Co- and W-doped TaN which should promote growth of 2D copper interconnects without compromising the barrier properties of TaN. With this selection of materials it should be possible to design new experimental processes that promote downscaled copper interconnects for the next generation of electronic devices. Additionally, our work presents an improved method towards prediction of thin film morphology on a given substrate, which can be of use for a variety of materials science applications.
半导体器件的进步推动了21世纪信息和通信技术的爆炸式发展,这一进步是由摩尔定律和随之而来的晶体管的大幅缩小所推动的。然而,目前公认的是,目前使用的铜互连正在成为亚纳米尺度的瓶颈。半导体器件在互连金属可用的体积内需要扩散屏障和种子层。这就限制了互连的最小尺寸,铜更倾向于形成不导电的3D岛,而不是导电薄膜。因此,迫切需要替代铜,这有其自身的困难,或者减少扩散屏障和衬里所占的体积;理想情况下,需要找到一种同时显示这两种属性的材料。我们之前已经表明,将Ru掺入TaN的表层是通常的TaN/Ta或TaN/Ru堆栈的强大替代方案。在这项工作中,我们研究了可以加入TaN的其他可能的金属,即Co和W,它们比Ru更便宜和关键,并且有可能超越它。我们从静态弛豫和从头算分子动力学得到的第一性原理密度泛函理论结果表明,有几种Co和w掺杂的TaN成分可以促进二维铜互连的生长,而不会影响TaN的势垒特性。有了这种材料的选择,应该可以设计新的实验工艺,促进下一代电子设备的缩小铜互连。此外,我们的工作提出了一种改进的方法来预测给定衬底上的薄膜形态,这可以用于各种材料科学应用。
{"title":"Incorporation of tungsten or cobalt into TaN barrier layers controls morphology of deposited copper","authors":"Cara-Lena Nies, M. Nolan","doi":"10.1088/2515-7639/acdeaa","DOIUrl":"https://doi.org/10.1088/2515-7639/acdeaa","url":null,"abstract":"Progress in semiconductor devices, which has enabled the information and communications technology explosion of the 21st century, has been driven by Moore’s Law and the accompanying aggressive scaling of transistors. However, it is now acknowledged that the currently used copper interconnects are becoming a bottleneck in sub-nm scaling. Semiconductor devices require a diffusion barrier and a seed layer in the volume available to the interconnect metal. This then limits the minimum size of the interconnect and copper suffers from a preference to form 3D islands which are non-conducting rather than conducting films. Therefore there is a pressing need to either replace copper, which has its own difficulties, or to reduce the volume taken up by the diffusion barrier and liner; ideally finding a single material displaying both properties is needed. We have previously shown that incorporation of Ru into the surface layer of TaN is a strong alternative to the usual TaN/Ta or TaN/Ru stacks. In this work we study other possible metals that can be incorporated into TaN, namely Co and W, which are less expensive and critical than Ru and can potentially outperform it. Our first principles density functional theory results from static relaxations and ab initio molecular dynamics show that there are several compositions of both Co- and W-doped TaN which should promote growth of 2D copper interconnects without compromising the barrier properties of TaN. With this selection of materials it should be possible to design new experimental processes that promote downscaled copper interconnects for the next generation of electronic devices. Additionally, our work presents an improved method towards prediction of thin film morphology on a given substrate, which can be of use for a variety of materials science applications.","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2023-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78922365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Towards control of the chirality sign at ultrathin metal films: Bi at 2Ni/Co 超薄金属膜手性标志的控制:Bi at 2Ni/Co
IF 2.7 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-06-26 DOI: 10.1088/2515-7639/acdf22
S. Gallego
Proximity effects can be used to introduce spin–orbit interactions in magnetic metallic layers in contact to a heavy metal (HM). This well known phenomenon has been exploited to induce chiral spin textures at Co ultrathin films, where the left- or right- handedness can be tuned by the HM layer position, based on the broken inversion symmetry of the film and the existence of an additive interface effect. Here we show that structural and chemical features introducing further symmetry reductions can be added to this scenario ultimately enabling control over the definition of a unique winding sense. We focus on 2Ni/Co heterostructures and Bi, a scarcely explored HM metal of large size, to combine a chemically inhomogeneous ferromagnetic stack along the normal to the surface with in-plane asymmetries. Our results are contrasted to 2Co layers combined with Ir.
接近效应可用于引入与重金属接触的磁性金属层中的自旋轨道相互作用。这一众所周知的现象已经被用来在Co超薄膜上诱导手性自旋织构,其中左手性或右手性可以通过HM层的位置来调节,这是基于薄膜反转对称性的破坏和可加性界面效应的存在。在这里,我们展示了引入进一步对称性减少的结构和化学特征可以添加到这个场景中,最终实现对独特缠绕感定义的控制。我们将重点放在2Ni/Co异质结构和Bi(一种很少被探索的大尺寸HM金属)上,将沿表面法线的化学不均匀铁磁堆栈与面内不对称结合起来。我们的结果与2Co层与Ir的结合进行了对比。
{"title":"Towards control of the chirality sign at ultrathin metal films: Bi at 2Ni/Co","authors":"S. Gallego","doi":"10.1088/2515-7639/acdf22","DOIUrl":"https://doi.org/10.1088/2515-7639/acdf22","url":null,"abstract":"Proximity effects can be used to introduce spin–orbit interactions in magnetic metallic layers in contact to a heavy metal (HM). This well known phenomenon has been exploited to induce chiral spin textures at Co ultrathin films, where the left- or right- handedness can be tuned by the HM layer position, based on the broken inversion symmetry of the film and the existence of an additive interface effect. Here we show that structural and chemical features introducing further symmetry reductions can be added to this scenario ultimately enabling control over the definition of a unique winding sense. We focus on 2Ni/Co heterostructures and Bi, a scarcely explored HM metal of large size, to combine a chemically inhomogeneous ferromagnetic stack along the normal to the surface with in-plane asymmetries. Our results are contrasted to 2Co layers combined with Ir.","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2023-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81165518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
From spectral analysis to hysteresis loops: a breakthrough in the optimization of magnetic nanomaterials for bioapplications 从光谱分析到磁滞回线:生物应用磁性纳米材料优化的突破
IF 2.7 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-06-02 DOI: 10.1088/2515-7639/acdaf8
G. Barrera, P. Allia, P. Tiberto
An innovative method is proposed to determine the most important magnetic properties of bioapplication-oriented magnetic nanomaterials exploiting the connection between hysteresis loop and frequency spectrum of magnetization. Owing to conceptual and practical simplicity, the method may result in a substantial advance in the optimization of magnetic nanomaterials for use in precision medicine. The techniques of frequency analysis of the magnetization currently applied to nanomaterials both in vitro and in vivo usually give a limited, qualitative picture of the effects of the active biological environment, and have to be complemented by direct measurement of the hysteresis loop. We show that the very same techniques can be used to convey all the information needed by present-day biomedical applications without the necessity of doing conventional magnetic measurements in the same experimental conditions. The spectral harmonics obtained analysing the response of a magnetic tracer in frequency, as in magnetic particle spectroscopy/imaging, are demonstrated to lead to a precise reconstruction of the hysteresis loop, whose most important parameters (loop’s area, magnetic remanence and coercive field) are directly obtained through transformation formulas based on simple manipulation of the harmonics amplitudes and phases. The validity of the method is experimentally verified on various magnetic nanomaterials for bioapplications submitted to ac magnetic fields of different amplitude, frequency and waveform. In all cases, the experimental data taken in the frequency domain exactly reproduce the magnetic properties obtained from conventional magnetic measurements.
提出了一种利用磁滞回线与磁化频谱之间的联系来确定生物应用磁性纳米材料最重要的磁特性的创新方法。由于概念和实践的简单性,该方法可能导致在精确医疗中使用的磁性纳米材料的优化方面取得实质性进展。目前应用于体外和体内纳米材料的磁化频率分析技术通常只能给出活性生物环境影响的有限定性图像,并且必须通过直接测量磁滞回线来补充。我们表明,完全相同的技术可以用来传达当今生物医学应用所需的所有信息,而无需在相同的实验条件下进行传统的磁测量。分析磁示踪剂在频率上的响应所得到的频谱谐波,如在磁粒子光谱/成像中,被证明可以导致磁滞回线的精确重建,其最重要的参数(环路面积、剩磁和矫顽力场)是通过基于简单的谐波幅值和相位的变换公式直接得到的。在不同振幅、频率和波形的交流磁场作用下,实验验证了该方法的有效性。在所有情况下,实验数据采取的频域准确再现从传统的磁性测量得到的磁性。
{"title":"From spectral analysis to hysteresis loops: a breakthrough in the optimization of magnetic nanomaterials for bioapplications","authors":"G. Barrera, P. Allia, P. Tiberto","doi":"10.1088/2515-7639/acdaf8","DOIUrl":"https://doi.org/10.1088/2515-7639/acdaf8","url":null,"abstract":"An innovative method is proposed to determine the most important magnetic properties of bioapplication-oriented magnetic nanomaterials exploiting the connection between hysteresis loop and frequency spectrum of magnetization. Owing to conceptual and practical simplicity, the method may result in a substantial advance in the optimization of magnetic nanomaterials for use in precision medicine. The techniques of frequency analysis of the magnetization currently applied to nanomaterials both in vitro and in vivo usually give a limited, qualitative picture of the effects of the active biological environment, and have to be complemented by direct measurement of the hysteresis loop. We show that the very same techniques can be used to convey all the information needed by present-day biomedical applications without the necessity of doing conventional magnetic measurements in the same experimental conditions. The spectral harmonics obtained analysing the response of a magnetic tracer in frequency, as in magnetic particle spectroscopy/imaging, are demonstrated to lead to a precise reconstruction of the hysteresis loop, whose most important parameters (loop’s area, magnetic remanence and coercive field) are directly obtained through transformation formulas based on simple manipulation of the harmonics amplitudes and phases. The validity of the method is experimentally verified on various magnetic nanomaterials for bioapplications submitted to ac magnetic fields of different amplitude, frequency and waveform. In all cases, the experimental data taken in the frequency domain exactly reproduce the magnetic properties obtained from conventional magnetic measurements.","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2023-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80633808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Halogenation effect on physicochemical properties of Ti3C2 MXenes 卤化对ti3c2mxenes理化性质的影响
IF 2.7 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-05-25 DOI: 10.1088/2515-7639/acd8f3
Seyedeh Alieh Kazemi, Samuel Akinlolu Ogunkunle, Oscar J. Allen, W. Wen, Alan Wee-Chung Liew, Shiwei Yin, Yun Wang
Halogenated MXenes have been experimentally demonstrated to be promising two-dimensional materials for a wide range of applicability. However, their physicochemical properties are largely unknown at the atomic level. In this study, we applied density functional theory (DFT) to theoretically investigate the halogenation effects on the structural, electronic, and mechanical characteristics of Ti3C2, which is the most studied MXene material. Three atomic configurations with different adsorption sites for four kinds of halogen terminals (fluorine, chlorine, bromine, and iodine) were considered. Our DFT results reveal that the adsorption site of terminals has a considerable impact on the properties of MXene. This can be ascribed to the different coordination environments of the surface Ti atoms, which change d-orbital splitting configurations of surface Ti atoms and the stabilities of systems. According to the density of states, crystal orbital Hamilton population, and charge analyses, all the considered halogenated MXenes are metallic. The electronic and mechanical properties of the halogenated MXenes are strongly dependent on the electronegativity of the halogen terminal group. The Ti–F bond has more ionic characteristics, which causes Ti3C2F2 mechanically behave in a more ductile manner. Our DFT results, therefore, suggest that the physicochemical properties of MXenes can be tuned for practical applications by selecting specific halogen terminal groups.
卤化MXenes已被实验证明是一种有前途的二维材料,具有广泛的适用性。然而,它们在原子水平上的物理化学性质在很大程度上是未知的。在本研究中,我们运用密度泛函理论(DFT)从理论上研究了卤化对MXene材料Ti3C2的结构、电子和力学特性的影响。考虑了四种卤素末端(氟、氯、溴和碘)具有不同吸附位点的三种原子构型。我们的DFT结果表明,终端的吸附位置对MXene的性能有相当大的影响。这可以归因于表面钛原子的不同配位环境,改变了表面钛原子的d轨道分裂构型和体系的稳定性。根据态密度、晶体轨道汉密尔顿居数和电荷分析,所有卤化MXenes都是金属。卤化MXenes的电子和机械性能强烈依赖于卤素端基的电负性。Ti-F键具有更多的离子特性,这使得Ti3C2F2具有更强的延展性。因此,我们的DFT结果表明,可以通过选择特定的卤素末端基团来调整MXenes的物理化学性质,以适应实际应用。
{"title":"Halogenation effect on physicochemical properties of Ti3C2 MXenes","authors":"Seyedeh Alieh Kazemi, Samuel Akinlolu Ogunkunle, Oscar J. Allen, W. Wen, Alan Wee-Chung Liew, Shiwei Yin, Yun Wang","doi":"10.1088/2515-7639/acd8f3","DOIUrl":"https://doi.org/10.1088/2515-7639/acd8f3","url":null,"abstract":"Halogenated MXenes have been experimentally demonstrated to be promising two-dimensional materials for a wide range of applicability. However, their physicochemical properties are largely unknown at the atomic level. In this study, we applied density functional theory (DFT) to theoretically investigate the halogenation effects on the structural, electronic, and mechanical characteristics of Ti3C2, which is the most studied MXene material. Three atomic configurations with different adsorption sites for four kinds of halogen terminals (fluorine, chlorine, bromine, and iodine) were considered. Our DFT results reveal that the adsorption site of terminals has a considerable impact on the properties of MXene. This can be ascribed to the different coordination environments of the surface Ti atoms, which change d-orbital splitting configurations of surface Ti atoms and the stabilities of systems. According to the density of states, crystal orbital Hamilton population, and charge analyses, all the considered halogenated MXenes are metallic. The electronic and mechanical properties of the halogenated MXenes are strongly dependent on the electronegativity of the halogen terminal group. The Ti–F bond has more ionic characteristics, which causes Ti3C2F2 mechanically behave in a more ductile manner. Our DFT results, therefore, suggest that the physicochemical properties of MXenes can be tuned for practical applications by selecting specific halogen terminal groups.","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2023-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91214675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Tuning the spin texture of graphene with size-specific Cu n clusters: a first-principles study 用特定尺寸的Cu n团簇调整石墨烯的自旋结构:第一性原理研究
IF 2.7 4区 物理与天体物理 Q3 Physics and Astronomy Pub Date : 2023-05-25 DOI: 10.1088/2515-7639/acd8f2
Ramasamy Murugesan, E. Janssens, J. van de Vondel, V. Afanas’ev, M. Houssa
The size dependent interaction of Cu n (n = 1‒5) clusters with pristine and defective (C-vacancy) graphene is studied by employing density functional theory. The computed binding energies are in the range of ∼0.5 eV for pristine graphene and ∼3.5 eV for defective graphene, indicating a much stronger interaction in the later system. The induced spin–orbit coupling interaction, due to the proximity of the Cu n cluster, is studied with non-collinear spin-polarized simulations. The clusters cause a spin splitting in the order of few meV. The resultant low energy bands spin textures are also computed, and a spin–valley coupling in the case of even atom clusters on pristine graphene is predicted, leading to the emergence of a spin lifetime anisotropy. For defective graphene, a complete out-of-plane spin texture and a large spin splitting of 40–100 meV is obtained for Cu n (n = 1, 2, 3, 5) clusters due to local magnetic moment. On the other hand, for Cu4/defective graphene, having no net magnetic moment, the spin–valley coupling prevails close to the band edges.
利用密度泛函理论研究了Cu n (n = 1-5)团簇与原始和缺陷(c -空位)石墨烯的尺寸依赖相互作用。计算得到的原始石墨烯的结合能在~ 0.5 eV,缺陷石墨烯的结合能在~ 3.5 eV,表明在后期系统中有更强的相互作用。利用非共线自旋极化模拟研究了Cu - n簇邻近引起的自旋-轨道耦合相互作用。这些团簇引起了几个meV量级的自旋分裂。由此产生的低能带自旋织构也进行了计算,并预测了原始石墨烯上均匀原子团簇情况下的自旋谷耦合,导致自旋寿命各向异性的出现。对于缺陷石墨烯,由于局部磁矩的作用,Cu n (n = 1,2,3,5)团簇获得了完整的面外自旋织构和40-100 meV的大自旋分裂。另一方面,对于Cu4/缺陷石墨烯,没有净磁矩,自旋谷耦合在带边缘附近盛行。
{"title":"Tuning the spin texture of graphene with size-specific Cu n clusters: a first-principles study","authors":"Ramasamy Murugesan, E. Janssens, J. van de Vondel, V. Afanas’ev, M. Houssa","doi":"10.1088/2515-7639/acd8f2","DOIUrl":"https://doi.org/10.1088/2515-7639/acd8f2","url":null,"abstract":"The size dependent interaction of Cu n (n = 1‒5) clusters with pristine and defective (C-vacancy) graphene is studied by employing density functional theory. The computed binding energies are in the range of ∼0.5 eV for pristine graphene and ∼3.5 eV for defective graphene, indicating a much stronger interaction in the later system. The induced spin–orbit coupling interaction, due to the proximity of the Cu n cluster, is studied with non-collinear spin-polarized simulations. The clusters cause a spin splitting in the order of few meV. The resultant low energy bands spin textures are also computed, and a spin–valley coupling in the case of even atom clusters on pristine graphene is predicted, leading to the emergence of a spin lifetime anisotropy. For defective graphene, a complete out-of-plane spin texture and a large spin splitting of 40–100 meV is obtained for Cu n (n = 1, 2, 3, 5) clusters due to local magnetic moment. On the other hand, for Cu4/defective graphene, having no net magnetic moment, the spin–valley coupling prevails close to the band edges.","PeriodicalId":16520,"journal":{"name":"Journal of Nonlinear Optical Physics & Materials","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2023-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85497967","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Journal of Nonlinear Optical Physics & Materials
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1