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Si(111) islands on β-phase Si(111)√3 × √3R30°-Bi 在 β 相 Si(111)√3 × √3R30°-Bi 上的 Si(111) 岛屿
Pub Date : 2024-04-10 DOI: 10.20517/microstructures.2023.74
P. De Padova, M. Jalochowski, A. Generosi, Carlo Ottaviani, C. Quaresima, B. Paci, B. Olivieri, M. Krawiec
β-phase √3 × √3R30°-bismuth (Bi) on silicon (Si)(111)7 × 7 surface has been exploited as a template for growing Si films. Two-dimensional Si islands with √3 × √3 reconstruction, parallel to that of Si(111)√3 × √3R30°-Bi, have been resolved by means of scanning tunneling microscopy, grazing-incidence X-ray diffraction (XRD) and low electron energy diffraction. Auger electron spectroscopy and scanning tunneling spectroscopy gave interesting electronic features on two-dimensional Si islands, with the evidence of a reduced band gap to ~0.55 eV, related to the presence of the underneath Bi layer, and atomic structural properties typical of Si(111). These experimental findings fully confirm the recently reported calculation based on the first-principles density functional theory, on the prediction of Si(111) growth on top of β-phase √3 × √3R30°-Bi/Si(111)7 × 7 reconstruction, shedding new light on silicon structures.
硅(Si)(111)7 × 7 表面上的β相√3 × √3R30°铋(Bi)被用作生长硅薄膜的模板。通过扫描隧道显微镜、掠入射 X 射线衍射 (XRD) 和低电子能衍射,解析了具有 √3 × √3 重构的二维硅岛,与 Si(111)√3 × √3R30° Bi 的重构平行。欧杰电子能谱和扫描隧道能谱在二维硅岛上显示出有趣的电子特征,证明带隙减小到 ~0.55 eV,这与下面存在的铋层以及典型的 Si(111) 原子结构特性有关。这些实验结果完全证实了最近报道的基于第一原理密度泛函理论的计算结果,即 Si(111) 生长在 β 相 √3 × √3R30°-Bi/Si(111)7 × 7 重构之上的预测,为硅结构带来了新的启示。
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引用次数: 0
Pressure-induced superconductivity in hypercoordinated 5p-block element nitrides MN6 (M = Sb, Te, I) 超配位 5p 块元素氮化物 MN6(M = Sb、Te、I)的压力诱导超导性
Pub Date : 2024-03-27 DOI: 10.20517/microstructures.2023.91
Yan Liu, Da Li, Tian Cui
The recent studies of high-pressure synthesis and stabilization of a variety of polynitrogens have had an immense impact on nitrogen chemistry. However, the metallization and superconductivity of solid nitrogen at high pressure have not yet been verified. Here, based on first-principles calculations, we report a remarkable finding of the metallic N6 hexazine ring stabilized in the 5p -block element nitrides MN6 (M = Sb, Te, I) at an experimentally accessible pressure of 100 GPa. Strikingly, the 5p -block elements act as precompressors and electron donors for the N sublattice, leading to the Jahn-Teller distortion of the N6 hexazine ring and endowing the 5p -block element nitrides superconductivity with a high superconducting critical temperature (T c) of up to 36.8 K, close to the McMillan limit (40 K). This is the first discovery of a nitrogen-based superconductor with distorted N6 hexazine rings. The high T c is attributed to the strong electron-phonon coupling that is induced by the phonon softening and the hybridized electronic states between N and 5s and 5p orbitals of 5p -block elements. Our works have broad implications for enriching novel p -block element nitrides and nitrogen chemistry under extreme conditions.
最近对各种多氮化物的高压合成和稳定化的研究对氮化学产生了巨大影响。然而,固态氮在高压下的金属化和超导性尚未得到验证。在此,我们基于第一原理计算,报告了在实验可获得的 100 GPa 压力下,5p-块元素氮化物 MN6(M = Sb、Te、I)中稳定的金属 N6 六嗪环的惊人发现。令人震惊的是,5p 块元素充当了 N 亚晶格的预压缩器和电子供体,导致 N6 六嗪环的 Jahn-Teller 畸变,并赋予了 5p 块元素氮化物超导性,其超导临界温度 (T c) 高达 36.8 K,接近麦克米兰极限(40 K)。这是首次发现具有扭曲 N6 六嗪环的氮基超导体。高 T c 归因于声子软化和 N 与 5p 块元素的 5s 和 5p 轨道之间的杂化电子态引起的强电子-声子耦合。我们的研究成果对于在极端条件下丰富新型 p 块元素氮化物和氮化学具有广泛的意义。
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引用次数: 0
Pressure-induced superconductivity in SnSb2Te4 SnSb2Te4 中的压力诱导超导性
Pub Date : 2024-02-27 DOI: 10.20517/microstructures.2023.60
Yanmei Ma, Hongbo Wang, Ruihong Li, Han Liu, Jian Zhang, Xianyu Wang, Q. Jing, Xu Wang, Wenping Dong, Jinman Chen, Bingze Wu, Yonghao Han, Dan Zhou, Chunxiao Gao
Owing to their unique compositional and structural characteristics, layered van der Waals solids in binary and ternary chalcogenide families provide a fertile testbed for exploring novel exotic structures and states, e.g., topological insulators and superconductors. Herein, a comprehensive study on the structural variations and correlated electrical transport behavior of SnSb2Te4, a ternary member, has been carried out considering elevated pressures. Under 45.6 GPa, three distinct structural phase transitions have been observed, with strong evidence from the variations of high-pressure X-ray diffraction patterns. The onsets of phase II (monoclinic, C2/m ) at 6.3 GPa, phase III (monoclinic, C2/c ) at 15.5 GPa, and phase IV (body-centered cubic with substitutional disorder, Im-3m ) at 17.2 GPa have been observed owing to the emergence of new diffractions. Based on electrical measurements at low temperature and high pressure conditions, two pressure-induced superconducting states have been distinguished in SnSb2Te4. The first state occurs in the range of 12.3-17.1 GPa. The positive pressure dependence on Tc indicates that the aforementioned state is related to the monoclinic C2/m phase. At > 17.1 GPa, the second superconducting state emerges, with the negative pressure dependence on Tc . It relates to the body-centered cubic solid solution phase, which is characteristic of a substitutional disordered crystal structure. The discovery that the pressure-induced superconductivity in SnSb2Te4 is affected by structural phase transitions under pressure may help understand the universal relationship between the ambient condition topological insulating state and derived superconductivity. Ab initio theoretical calculations reveal that an electronic topological transition takes place at approximately 2.0 GPa, which is featured by the obvious changes in the distribution of electronic density of states near the Fermi level.
由于其独特的组成和结构特征,二元和三元铬化物家族中的层状范德华固体为探索新型奇异结构和状态(如拓扑绝缘体和超导体)提供了肥沃的试验平台。在此,我们对三元成员 SnSb2Te4 的结构变化和相关电输运行为进行了全面研究。在 45.6 GPa 的压力下,观察到三种截然不同的结构相变,高压 X 射线衍射图样的变化提供了有力的证据。由于出现了新的衍射,我们观察到在 6.3 GPa 时出现了相 II(单斜,C2/m),在 15.5 GPa 时出现了相 III(单斜,C2/c),在 17.2 GPa 时出现了相 IV(具有置换无序性的体心立方,Im-3m)。根据在低温和高压条件下进行的电学测量,SnSb2Te4 中出现了两种压力诱导超导状态。第一种状态出现在 12.3-17.1 GPa 的范围内。Tc 与压力的正相关性表明,上述状态与单斜 C2/m 相有关。在 > 17.1 GPa 时,出现了第二种超导状态,其与 Tc 的压力关系为负。它与体心立方固溶相有关,是置换无序晶体结构的特征。发现 SnSb2Te4 中的压力诱导超导电性受到压力下结构相变的影响,可能有助于理解环境条件下拓扑绝缘态与衍生超导电性之间的普遍关系。Ab initio 理论计算显示,电子拓扑转变发生在大约 2.0 GPa 时,其特点是费米级附近的电子态密度分布发生了明显变化。
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引用次数: 0
La(Fe,Si/Al)13-based materials with exceptional magnetic functionalities: a review 具有特殊磁性功能的 La(Fe,Si/Al)13 基材料:综述
Pub Date : 2024-02-26 DOI: 10.20517/microstructures.2023.58
Feixiang Long, Yuzhu Song, Jun Chen
The field of magnetic functional materials continues to garner significant attention due to its research and diverse applications, such as magnetic storage and spintronics. Among these, La(Fe,Si/Al)13-based materials exhibit abundant magnetic properties and emerge as highly captivating subjects with immense potential. This review provides an overview of the diverse magnetic structures and itinerant electron metamagnetic transition observed in La(Fe,Si/Al)13-based materials. The transformation of different magnetic configurations elicits the phenomena such as negative thermal expansion, magnetostriction, magnetocaloric effect, and barocaloric effect. In addition, the pivotal role of spin and lattice coupling in these phenomena is revealed. The magnetic functionalities of La(Fe,Si/Al)13-based materials can be controlled through adjustments of magnetic exchange interactions. Key methods, including chemical substitution, external field application, and interstitial atom insertion, enable precise modulation of these functionalities. This review not only provides valuable insights into the design and development of magnetic functional materials but also offers significant contributions to our understanding of the underlying mechanisms governing their magnetic behaviors.
磁性功能材料的研究和多样化应用,如磁性存储和自旋电子学,使该领域持续受到极大关注。其中,基于 La(Fe,Si/Al)13 的材料表现出丰富的磁性能,成为极具潜力的研究课题。本综述概述了在 La(Fe,Si/Al)13 基材料中观察到的各种磁性结构和巡回电子元磁性转变。不同磁性构型的转变引发了负热膨胀、磁致伸缩、磁热效应和巴热效应等现象。此外,还揭示了自旋和晶格耦合在这些现象中的关键作用。La(Fe,Si/Al)13 基材料的磁功能可通过调整磁交换相互作用来控制。包括化学置换、外部磁场应用和插入间隙原子在内的关键方法可实现对这些功能的精确调控。这篇综述不仅为磁性功能材料的设计和开发提供了宝贵的见解,还为我们理解其磁性行为的基本机制做出了重要贡献。
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引用次数: 0
Amorphous diamond embedded in dense boron nitride with excellent mechanical properties 嵌入致密氮化硼的无定形金刚石具有卓越的机械性能
Pub Date : 2024-02-06 DOI: 10.20517/microstructures.2023.54
Junkai Li, Guoliang Niu, Peiyang Mu, Bingmin Yan, Fuyang Liu, Shijing Zhao, Leiming Fang, Huiyang Gou
Diamond and cubic boron nitride (BN) are important materials with a variety of technological and industrial applications; however, overcoming the intrinsic brittleness of these materials is still a challenge. Here, we synthesize a compound of crystalline BN and amorphous diamond-like carbon through BN nanotubes and fullerene under high pressure and high temperature conditions. The obtained composite exhibits excellent combination of a measured Vickers’ hardness of 86.2 GPa and fracture toughness of 10.2 MPa m1/2. Morphological and structural characterizations reveal that the amorphous diamond-like carbon is homogeneously embedded in a matrix of dense BN. The formation of the amorphous diamond-like carbon particles within the polycrystalline BN can effectively impede the migration of crack tips when the compound is subjected to the plastic deformation, in which most of crack tips are forced to deflect or confined near the boundaries of dense BN and amorphous diamond particles. The crystalline-amorphous composite strengthening presented here may provide a promising strategy for the further improvement of mechanical properties of hard or superhard materials.
金刚石和立方氮化硼(BN)是具有多种技术和工业应用的重要材料;然而,克服这些材料的内在脆性仍然是一项挑战。在此,我们通过氮化硼纳米管和富勒烯在高压高温条件下合成了结晶氮化硼和无定形类金刚石碳的复合材料。所获得的复合材料具有出色的综合性能,维氏硬度测量值为 86.2 GPa,断裂韧性为 10.2 MPa m1/2。形态和结构特征显示,无定形类金刚石碳均匀地嵌入致密 BN 的基体中。在多晶 BN 中形成的非晶态类金刚石碳颗粒能在化合物发生塑性变形时有效阻碍裂纹尖端的迁移,在塑性变形中,大部分裂纹尖端被迫偏转或被限制在致密 BN 和非晶态金刚石颗粒的边界附近。本文介绍的晶体-非晶态复合强化技术可为进一步提高硬质或超硬材料的机械性能提供一种前景广阔的策略。
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引用次数: 0
Amorphous diamond embedded in dense boron nitride with excellent mechanical properties 嵌入致密氮化硼的无定形金刚石具有卓越的机械性能
Pub Date : 2024-02-06 DOI: 10.20517/microstructures.2023.54
Junkai Li, Guoliang Niu, Peiyang Mu, Bingmin Yan, Fuyang Liu, Shijing Zhao, Leiming Fang, Huiyang Gou
Diamond and cubic boron nitride (BN) are important materials with a variety of technological and industrial applications; however, overcoming the intrinsic brittleness of these materials is still a challenge. Here, we synthesize a compound of crystalline BN and amorphous diamond-like carbon through BN nanotubes and fullerene under high pressure and high temperature conditions. The obtained composite exhibits excellent combination of a measured Vickers’ hardness of 86.2 GPa and fracture toughness of 10.2 MPa m1/2. Morphological and structural characterizations reveal that the amorphous diamond-like carbon is homogeneously embedded in a matrix of dense BN. The formation of the amorphous diamond-like carbon particles within the polycrystalline BN can effectively impede the migration of crack tips when the compound is subjected to the plastic deformation, in which most of crack tips are forced to deflect or confined near the boundaries of dense BN and amorphous diamond particles. The crystalline-amorphous composite strengthening presented here may provide a promising strategy for the further improvement of mechanical properties of hard or superhard materials.
金刚石和立方氮化硼(BN)是具有多种技术和工业应用的重要材料;然而,克服这些材料的内在脆性仍然是一项挑战。在此,我们通过氮化硼纳米管和富勒烯在高压高温条件下合成了结晶氮化硼和无定形类金刚石碳的复合材料。所获得的复合材料具有出色的综合性能,维氏硬度测量值为 86.2 GPa,断裂韧性为 10.2 MPa m1/2。形态和结构特征显示,无定形类金刚石碳均匀地嵌入致密 BN 的基体中。在多晶 BN 中形成的非晶态类金刚石碳颗粒能在化合物发生塑性变形时有效阻碍裂纹尖端的迁移,在塑性变形中,大部分裂纹尖端被迫偏转或被限制在致密 BN 和非晶态金刚石颗粒的边界附近。本文介绍的晶体-非晶态复合强化技术可为进一步提高硬质或超硬材料的机械性能提供一种前景广阔的策略。
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引用次数: 0
Roadmap for ferroelectric domain wall memory 铁电畴壁存储器路线图
Pub Date : 2024-01-12 DOI: 10.20517/microstructures.2023.52
Jie Sun, Yiming Li, Di Hu, Bowen Shen, Boyang Zhang, Zilong Wang, Haiyue Tang, Anquan Jiang
Commercial nonvolatile Ferroelectric Random Access Memory employs a destructive readout scheme based on charge sensing, which limits its cell scalability in sizes above 100 nm. Ferroelectric domain walls are two-dimensional topological interfaces with thicknesses approaching the unit cell level between two antiparallel domains and exhibit electrical conductivity, distinguishing them from insulating matrices that are uniformly ordered. Recently, novel research has been devoted to utilizing this extraordinary interface for the application in nonvolatile memory with nanometer-sized scalability and low energy consumption. Here, we pay more attention to the development of the domain wall memory technologies in the future with challenges and opportunities to design planar and vertical arrays of the memory cells in the CMOS platform.
商用非易失性铁电随机存取存储器采用基于电荷感应的破坏性读出方案,这限制了其单元在 100 纳米以上尺寸的可扩展性。铁电畴壁是二维拓扑界面,厚度接近两个反平行畴之间的单胞水平,具有导电性,有别于均匀有序的绝缘基质。最近,人们致力于利用这种非凡的界面,将其应用于具有纳米级可扩展性和低能耗的非易失性存储器。在此,我们将更加关注未来域壁存储器技术的发展,以及在 CMOS 平台上设计平面和垂直阵列存储器单元所面临的挑战和机遇。
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引用次数: 0
Misfit strain-misfit strain phase diagram of (110)-oriented ferroelectric PbTiO3 films: a phase-field study (110)取向铁电 PbTiO3 薄膜的错位应变-错位应变相图:相场研究
Pub Date : 2024-01-09 DOI: 10.20517/microstructures.2023.53
Hui-Mei Li, Heng Zhang, Yujia Wang, Yunlong Tang, Yiniei Zhu, Xiu-Liang Ma
Ferroelectric thin films with high index orientations are found to possess unique structures and properties. In this work, we constructed the misfit strain-misfit strain phase diagram of (110)-oriented PbTiO3 (PTO) thin films by phase-field simulations. The evolutions of ferroelectric phase structures, domain morphologies, volume fractions, and polarization components with the anisotropic strains were analyzed in detail. Large anisotropic strains exist between the orthorhombic scandate substrates and (110)-oriented PTO films, which makes it possible to engineer the structures and properties by anisotropic strain. These results deepen the understanding of ferroelectric domain structures of (110)-oriented PTO films under the anisotropic strain and provide theoretical support for the anisotropic strain engineering of high-index thin films experimentally.
人们发现,具有高指数取向的铁电薄膜具有独特的结构和性能。在这项工作中,我们通过相场模拟构建了(110)取向 PbTiO3 (PTO)薄膜的错配应变-错配应变相图。详细分析了铁电相结构、畴形态、体积分数和极化分量随各向异性应变的变化。正交钪基底和(110)取向 PTO 薄膜之间存在较大的各向异性应变,这使得通过各向异性应变来设计结构和性能成为可能。这些结果加深了人们对各向异性应变下(110)取向 PTO 薄膜铁电畴结构的理解,为高指数薄膜的各向异性应变工程实验提供了理论支持。
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引用次数: 0
Construction and ultrasonic inspection of the high-capacity Li-ion battery based on the MnO2 decorated by Au nanoparticles anode 基于金纳米粒子装饰的二氧化锰正极的高容量锂离子电池的构造和超声波检测
Pub Date : 2024-01-08 DOI: 10.20517/microstructures.2023.64
Cuihua An, Shikang Wang, Liyang Lin, Xiangyan Ding, Qibo Deng, Ning Hu
Lithium (Li)-ion batteries have become one of the main energy sources for electric vehicles and energy storage systems, which puts forward higher requirements for the detection of battery state of health (SOH). The SOH of batteries is crucial for areas such as battery management and renewable energy storage. Accurately evaluating the SOH of batteries can optimize charging and discharging strategies and extend battery life. Therefore, accurately and effectively monitoring the SOH of Li batteries is of great significance. An ultrasonic testing technology has been proposed that can non-destructively test the Li battery SOH, enabling accurate judgment of batteries in poor or damaged conditions. Firstly, the hetero-structured MnO2-Au has been constructed as the anode for Li-ion batteries. MnO2-Au heterojunction enhances electronic conductivity and ion conductivity. The MnO2-Au has exhibited high specific capacity and superior rate performances, which can well satisfy the ultrasonic inspection of the battery. Then, the ultrasonic testing has been conducted on batteries with different ages. The results suggest that batteries with short circuits have the highest nonlinear coefficient, while batteries with short circuits after long cycles have the lowest nonlinear coefficient. The nonlinear coefficient of batteries with different charging and discharging states is in the middle.
锂离子电池已成为电动汽车和储能系统的主要能源之一,这对电池健康状况(SOH)的检测提出了更高的要求。电池的 SOH 对电池管理和可再生能源存储等领域至关重要。准确评估电池的 SOH 可以优化充电和放电策略,延长电池寿命。因此,准确有效地监测锂电池的 SOH 具有重要意义。本研究提出了一种超声波检测技术,可对锂电池的 SOH 进行无损检测,从而准确判断电池是否处于不良或损坏状态。首先,构建了异质结构的 MnO2-Au 作为锂离子电池的阳极。MnO2-Au 异质结增强了电子导电性和离子导电性。MnO2-Au 具有高比容量和优异的速率性能,能很好地满足电池的超声波检测要求。然后,对不同年限的电池进行了超声波检测。结果表明,短路电池的非线性系数最高,而长周期短路电池的非线性系数最低。不同充放电状态电池的非线性系数处于中间位置。
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引用次数: 0
Photothermal effect and application of photothermal materials in photocatalysis and photoelectric catalysis 光热效应和光热材料在光催化和光电催化中的应用
Pub Date : 2024-01-01 DOI: 10.20517/microstructures.2023.51
Jingnan Zhang, Tong-Dan. Tang, Rongge Yang, Guilin Wang, Kai-Hang Ye, Jianxin Shi
Photocatalysis (PC) and photoelectric catalysis (PEC) are environmental protection technologies that use sunlight capacity and environmental governance, and they have a wide range of applications in hydrogen production, carbon dioxide reduction, organic degradation, and other fields. When the light is irradiated on the material, part of the light energy will be converted into heat energy, and the combination of this part of the heat energy with PC and PEC will become an important way to improve optical performance. Compared with traditional technology, the synergistic effect of light and heat can obtain higher catalytic performance and improve energy utilization efficiency. This review begins with an overview of the principle of photoheat generation, which produces heat energy in a non-radiative process through photo-induced instability of electrons. The principle of thermal effect on the performance improvement of PC/PEC is analyzed from the dynamics and thermodynamics of photoreaction and electric reaction. On this basis, several materials widely used at present are listed, such as oxides, plasmas, conductive polymers, carbon materials, and other typical photothermal materials. The specific applications of photothermal materials in PC and PEC processes, such as hydrogen production by oxidation, carbon dioxide reduction, organic matter reduction, and seawater desalination, were discussed. Finally, the challenges to PC/PEC from the introduction of thermal effects are further discussed to provide a clean and sustainable way to build a carbon-neutral society.
光催化(PC)和光电催化(PEC)是利用阳光能力和环境治理的环保技术,在制氢、二氧化碳还原、有机物降解等领域有着广泛的应用。当光照射在材料上时,部分光能将转化为热能,将这部分热能与 PC 和 PEC 结合将成为提高光学性能的重要途径。与传统技术相比,光和热的协同效应可以获得更高的催化性能,提高能源利用效率。本综述首先概述了光热产生的原理,即通过光诱导电子的不稳定性在非辐射过程中产生热能。从光反应和电反应的动力学和热力学角度分析了热效应对提高 PC/PEC 性能的原理。在此基础上,列举了目前广泛应用的几种材料,如氧化物、等离子体、导电聚合物、碳材料和其他典型的光热材料。讨论了光热材料在 PC 和 PEC 过程中的具体应用,如氧化制氢、二氧化碳还原、有机物还原和海水淡化。最后,进一步讨论了引入热效应给 PC/PEC 带来的挑战,以便为建设碳中和社会提供一种清洁、可持续的方式。
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引用次数: 0
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Microstructures
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