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Efficacy of boron nitride encapsulation against plasma-processing of 2D semiconductor layers 氮化硼封装对二维半导体层等离子体处理的影响
Pub Date : 2020-11-15 DOI: 10.1116/6.0000874
Pawan Kumar, Kelotchi S. Figueroa, Alexandre C. Foucher, Kiyoung Jo, Natalia Acero, E. Stach, D. Jariwala
Two-dimensional (2D) transition metal dichalcogenides (TMDCs) are the subject of intense investigation for applications in optics, electronics, catalysis, and energy storage. Their optical and electronic properties can be significantly enhanced when encapsulated in an environment that is free of charge disorder. Because hexagonal boron nitride (h-BN) is atomically thin, highly-crystalline, and is a strong insulator, it is one of the most commonly used 2D materials to encapsulate and passivate TMDCs. In this report, we examine how ultrathin h-BN shields an underlying MoS2 TMDC layer from the energetic argon plasmas that are routinely used during semiconductor device fabrication and post-processing. Aberration-corrected Scanning Transmission Electron Microscopy is used to analyze defect formation in both the h-BN and MoS2 layers, and these observations are correlated with Raman and photoluminescence spectroscopy. Our results highlight that h-BN is an effective barrier for short plasma exposures (< 30 secs) but is ineffective for longer exposures, which result in extensive knock-on damage and amorphization in the underlying MoS2.
二维(2D)过渡金属二硫族化合物(TMDCs)在光学、电子、催化和储能等领域的应用受到了广泛的关注。当封装在无电荷无序的环境中时,它们的光学和电子特性可以显著增强。由于六方氮化硼(h-BN)具有原子薄、高结晶性和强绝缘体的特性,是封装和钝化TMDCs最常用的二维材料之一。在本报告中,我们研究了超薄h-BN如何保护MoS2 TMDC层免受高能氩等离子体的影响,而高能氩等离子体通常用于半导体器件制造和后处理。利用像差校正扫描透射电子显微镜分析了h-BN和MoS2层的缺陷形成,这些观察结果与拉曼光谱和光致发光光谱相关。我们的研究结果强调,h-BN对于短等离子体暴露(< 30秒)是一种有效的屏障,但对于较长时间的暴露是无效的,这会导致潜在的二硫化钼的广泛撞击损伤和非晶化。
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引用次数: 5
Fabrication of economical signal amplified vibrating sample magnetometer with spiral designed detector 经济型信号放大振动样品磁强计的研制
Pub Date : 2020-11-14 DOI: 10.1063/5.0030132
Aditya Dash, R. Sarkar, Abel Mathew, P. V. S. I. O. Physics, Astronomy, National Institute of Technology Rourkela, Odisha, India
The design and fabrication of a cost-effective vibrating sample magnetometer are explained. Improvement in the detected signal can be obtained using an operational amplifier circuit. The fabricated spiral detection coil design enhances the induced voltage obtained as shielding flux is reduced. A homemade setup is obtained by taking a woofer as an actuator and plexiglass as the vibrating medium. Lock-in amplifier analyzed the booster enhanced induced voltage signal by the principle of phase detection. Study of amplified and non amplified signals from the Nickel (99% purity) sample was done. Conversion of induced voltage to magnetization was done by calibration incorporating the coercivity and retentivity measurement. Magnetic oxide can be analyzed using this cost-effective designed Vibrating sample magnetometer. The data obtained from the VSM can conclude the successful operation of the designed magnetometer.
介绍了一种高性价比的振动样品磁强计的设计和制造方法。检测信号的改进可以通过运算放大电路得到。制造螺旋检测线圈的设计提高了感应电压,降低了屏蔽磁通。以低音炮为致动器,有机玻璃为振动介质,自制了振动装置。锁相放大器利用鉴相原理对升压增强的感应电压信号进行分析。对镍(纯度99%)样品的放大信号和非放大信号进行了研究。感应电压到磁化强度的转换是通过结合矫顽力和保持力测量的校准来完成的。磁性氧化物可以使用这种设计成本低廉的振动样品磁强计进行分析。从VSM得到的数据可以断定所设计的磁力计运行成功。
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引用次数: 0
Ab initio screening of metallic MAX ceramics for advanced interconnect applications 用于高级互连应用的金属MAX陶瓷从头开始筛选
Pub Date : 2020-11-13 DOI: 10.1103/PhysRevMaterials.5.056002
K. Sankaran, K. Moors, Z. Tokei, C. Adelmann, G. Pourtois
The potential of a wide range of layered ternary carbide and nitride MAX phases as conductors in interconnect metal lines in advanced CMOS technology nodes has been evaluated using automated first principles simulations based on density functional theory. The resistivity scaling potential of these compounds, i.e. the sensitivity of their resistivity to reduced line dimensions, has been benchmarked against Cu and Ru by evaluating their transport properties within a semiclassical transport formalism. In addition, their cohesive energy has been assessed as a proxy for the resistance against electromigration and the need for diffusion barriers. The results indicate that numerous MAX phases show promise as conductors in interconnects of advanced CMOS technology nodes.
利用基于密度泛函理论的自动化第原理模拟,评估了各种层状三元碳化物和氮化物MAX相作为先进CMOS技术节点互连金属线导体的潜力。这些化合物的电阻率标度势,即其电阻率对减小线尺寸的敏感性,通过在半经典输运形式下评估其输运性质,以Cu和Ru为基准。此外,它们的内聚能被评估为抵抗电迁移和需要扩散屏障的代理。结果表明,大量的MAX相在先进CMOS技术节点的互连中具有广阔的应用前景。
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引用次数: 11
Large anomalous Hall angle in a topological semimetal candidate TbPtBi 拓扑半金属候选物TbPtBi的大异常霍尔角
Pub Date : 2020-11-13 DOI: 10.1063/5.0033707
Jie Chen, Hang Li, B. Ding, Hong-wei Zhang, Enke Liu, Wenhong Wang
The magnetotransport properties in antiferromagnetic half-Heusler single crystals of TbPtBi, a magnetic-field-induced topological semimetal with simple band structure, are investigated. We found that a nonmonotonic magnetic field dependence of the anomalous Hall resistivity in a high magnetic field (B>7T), which come from the change of band structure induced by the Zeeman-like splitting when applying the external magnetic field. The experiment results show that credible anomalous Hall resistivity and conductivity reach up to 0.6798m{Omega}cm and 125{Omega}-1cm-1, respectively. A large AHA up to 33% is obtained in TbPtBi, which is comparable to typical ferromagnetic Weyl semimetal. The analysis of results show it should be attributed to topological band around EF and low carrier density.
研究了具有简单带结构的磁场诱导拓扑半金属TbPtBi反铁磁半heusler单晶的磁输运性质。我们发现在高磁场(bbbb7t)下,异常霍尔电阻率与磁场的非单调依赖关系,这是由于外加磁场引起的类泽曼分裂引起的带结构变化所致。实验结果表明,可靠的异常霍尔电阻率和电导率分别达到0.6798m{Omega}cm和125{Omega}-1cm-1。在TbPtBi中获得了高达33%的大AHA,可与典型的铁磁性Weyl半金属相媲美。分析结果表明,这主要归因于EF附近的拓扑带和低载流子密度。
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引用次数: 12
Characterization of room-temperature in-plane magnetization in thin flakes of CrTe2 with a single-spin magnetometer 用单自旋磁力计表征CrTe2薄片的室温平面内磁化
Pub Date : 2020-11-11 DOI: 10.1103/PHYSREVMATERIALS.5.034008
F. Fabre, A. Finco, A. Purbawati, A. Hadj-Azzem, N. Rougemaille, J. Coraux, I. Philip, V. Jacques
We demonstrate room-temperature ferromagnetism with in-plane magnetic anisotropy in thin flakes of the CrTe$_2$ van der Waals ferromagnet. Using quantitative magnetic imaging with a single spin magnetometer based on a nitrogen-vacancy defect in diamond, we infer a room-temperature in-plane magnetization in the range of $Msim 25$ kA/m for flakes with thicknesses down to $20$ nm. These results make CrTe$_2$ a unique system in the growing family of van der Waals ferromagnets, because it is the only material platform known to date which offers an intrinsic in-plane magnetization and a Curie temperature above $300$ K in thin flakes.
我们证明了CrTe$_2$范德华铁磁体薄片具有面内磁各向异性的室温铁磁性。利用基于金刚石中氮空位缺陷的单自旋磁强计的定量磁成像,我们推断出厚度低至20 nm的薄片的室温平面内磁化范围为$Msim 25$ kA/ M。这些结果使得CrTe$_2$在不断增长的范德华铁磁体家族中成为一个独特的体系,因为它是迄今为止已知的唯一的材料平台,在薄片中提供了固有的平面内磁化和居里温度高于$300$ K。
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引用次数: 15
Maximization and minimization of interfacial thermal conductance by modulating the mass distribution of the interlayer 通过调节中间层的质量分布来使界面导热系数最大化和最小化
Pub Date : 2020-11-10 DOI: 10.1103/PhysRevB.103.155305
Lina Yang, Xiao Wan, Dengke Ma, Yi Jiang, Nuo Yang
Tuning interfacial thermal conductance has been a key task for the thermal management of nanoelectronic devices. Here, it is studied how the interfacial thermal conductance is great influenced by modulating the mass distribution of the interlayer of one-dimensional atomic chain. By nonequilibrium Green's function and machine learning algorithm, the maximum/minimum value of thermal conductance and its corresponding mass distribution are calculated. Interestingly, the mass distribution corresponding to the maximum thermal conductance is not a simple function, such as linear and exponential distribution predicted in previous works, it is similar to a sinusoidal curve around linear distribution for larger thickness interlayer. Further, the mechanism of the abnormal results is explained by analyzing the phonon transmission spectra and density of states. The work provides deep insight into optimizing and designing interfacial thermal conductance by modulating mass distribution of interlayer atoms.
调整界面热导率一直是纳米电子器件热管理的关键任务。本文研究了调节一维原子链间层质量分布对界面热导率的影响。通过非平衡格林函数和机器学习算法,计算出导热系数的最大/最小值及其对应的质量分布。有趣的是,最大热导率对应的质量分布并不是一个简单的函数,如前人所预测的线性和指数分布,对于较大厚度的夹层,它类似于一个围绕线性分布的正弦曲线。进一步,通过分析声子透射谱和态密度,解释了异常结果产生的机理。该工作为通过调节层间原子的质量分布来优化和设计界面热导提供了深刻的见解。
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引用次数: 11
Low-symmetry two-dimensional BNP2 and C2SiS structures with high and anisotropic carrier mobilities 具有高载流子迁移率和各向异性载流子迁移率的低对称二维BNP2和C2SiS结构
Pub Date : 2020-11-09 DOI: 10.1103/PhysRevMaterials.4.114004
Shixin Song, J. Guan, David Tom'anek
We study the stability and electronic structure of previously unexplored two-dimensional (2D) ternary compounds BNP$_2$ and C$_2$SiS. Using $ab$ $initio$ density functional theory, we have identified four stable allotropes of each ternary compound and confirmed their stability by calculated phonon spectra and molecular dynamics simulations. Whereas all BNP$_2$ allotropes are semiconducting, we find C$_2$SiS, depending on the allotrope, to be semiconducting or semimetallic. The fundamental band gaps of the semiconducting allotropes we study range from $1.4$ eV to $2.2$ eV at the HSE06 level $0.5$ eV to $1.4$ eV at the PBE level and display carrier mobilities as high as $1.5{times}10^5$ cm$^2$V$^{-1}$s$^{-1}$. Such high mobilities are quite uncommon in semiconductors with so wide band gaps. Structural ridges in the geometry of all allotropes cause a high anisotropy in their mechanical and transport properties, promising a wide range of applications in electronics and optoelectronics.
我们研究了以前未发现的二维三元化合物BNP$_2$和C$_2$ si的稳定性和电子结构。利用$ab$ initio$密度泛函理论,我们确定了每个三元化合物的四个稳定的同素异形体,并通过计算声子谱和分子动力学模拟证实了它们的稳定性。然而所有的BNP$_2$同素异形体都是半导体的,我们发现C$_2$ si,根据同素异形体的不同,是半导体的或半金属的。我们研究的半导体同素同物的基本带隙范围从$1.4$ eV到$2.2$ eV在HSE06水平,$0.5$ eV到$1.4$ eV在PBE水平,显示载流子迁移率高达$1.5{times}10^5$ cm$^2$V$^{-1}$s$^{-1}$。如此高的迁移率在具有如此宽带隙的半导体中是相当罕见的。所有同素异形体的几何结构脊导致其力学和输运特性具有很高的各向异性,在电子和光电子领域具有广泛的应用前景。
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引用次数: 4
Finite-temperature materials modeling from the quantum nuclei to the hot electron regime 从量子核到热电子态的有限温度材料模型
Pub Date : 2020-11-08 DOI: 10.1103/PHYSREVMATERIALS.5.043802
Nataliya Lopanitsyna, Chiheb Ben Mahmoud, M. Ceriotti
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are usually hindered by the need to strike a balance between the accuracy of the calculation of the interatomic potential and the modelling of realistic thermodynamic conditions. Machine-learning techniques make it possible to efficiently approximate the outcome of accurate electronic-structure calculations, that can therefore be combined with extensive thermodynamic sampling. We take elemental nickel as a prototypical material, whose alloys have applications from cryogenic temperatures up to close to their melting point, and use it to demonstrate how a combination of machine-learning models of electronic properties and statistical sampling methods makes it possible to compute accurate finite-temperature properties at an affordable cost. We demonstrate the calculation of a broad array of bulk, interfacial and defect properties over a temperature range from 100 to 2500 K, modeling also, when needed, the impact of nuclear quantum fluctuations and electronic entropy. The framework we demonstrate here can be easily generalized to more complex alloys and different classes of materials.
原子模拟提供了对原子大小和长度尺度上的结构-性质关系的见解,这是对可以从实验中获得的宏观观察结果的补充。然而,由于需要在原子间势计算的准确性和实际热力学条件的模拟之间取得平衡,定量预测通常受到阻碍。机器学习技术可以有效地近似准确的电子结构计算的结果,因此可以与广泛的热力学采样相结合。我们以元素镍为原型材料,其合金具有从低温到接近熔点的应用,并使用它来演示如何将电子特性的机器学习模型和统计抽样方法相结合,从而以可承受的成本计算精确的有限温度特性。我们演示了在100到2500 K的温度范围内计算大量的体、界面和缺陷特性,并在需要时模拟了核量子涨落和电子熵的影响。我们在这里展示的框架可以很容易地推广到更复杂的合金和不同类别的材料。
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引用次数: 13
Defect states and their electric field-enhanced electron thermal emission in heavily Zr-doped β-Ga2O3 crystals 重掺zr β-Ga2O3晶体的缺陷态及其电场增强电子热发射
Pub Date : 2020-11-07 DOI: 10.1063/5.0029442
Rujun Sun, Y. Ooi, A. Bhattacharyya, Muad Saleh, S. Krishnamoorthy, K. Lynn, M. Scarpulla
Performing deep level transient spectroscopy (DLTS) on Schottky diodes, we investigated defect levels below the conduction band minima (Ec) in Czochralski (CZ) grown unintentionally-doped (UID) and vertical gradient freeze (VGF)-grown Zr-doped beta-Ga2O3 crystals. In UID crystals with an electron concentration of 10^17 cm-3, we observe levels at 0.18 eV and 0.46 eV in addition to the previously reported 0.86 (E2) and 1.03 eV (E3) levels. For 10^18 cm-3 Zr-doped Ga2O3, signatures at 0.30 eV (E15) and 0.71 eV (E16) are present. For the highest Zr doping of 5*10^18 cm-3, we observe only one signature at 0.59 eV. Electric field-enhanced emission rates are demonstrated via increasing the reverse bias during measurement. The 0.86 eV signature in the UID sample displays phonon-assisted tunneling enhanced thermal emission and is consistent with the widely reported E2 (FeGa) defect. The 0.71 eV (E16) signature in the lower-Zr-doped crystal also exhibits phonon-assisted tunneling emission enhancement. Taking into account that the high doping in the Zr-doped diodes also increases the electric field, we propose that the 0.59 eV signature in the highest Zr-doped sample likely corresponds to the 0.71 eV signature in lower-doped samples. Our analysis highlights the importance of testing for and reporting on field-enhanced emission especially the electric field present during DLTS and other characterization experiments on beta-Ga2O3 along with the standard emission energy, cross-section, and lambda-corrected trap density. This is important because of the intended use of beta-Ga2O3 in high-field devices and the many orders of magnitude of possible doping.
利用深能级瞬态光谱(DLTS)对肖特基二极管进行了研究,研究了CZ生长的无意掺杂(UID)和VGF生长的掺杂zr - ga2o3晶体中低于导带最小值(Ec)的缺陷水平。在电子浓度为10^17 cm-3的UID晶体中,除了先前报道的0.86 (E2)和1.03 eV (E3)水平外,我们还观察到0.18 eV和0.46 eV的水平。对于10^18 cm-3 zr掺杂的Ga2O3,存在0.30 eV (E15)和0.71 eV (E16)的特征。对于Zr掺杂最高的5*10^18 cm-3,我们只观察到一个0.59 eV的特征。通过在测量过程中增加反向偏置,证明了电场增强的发射率。UID样品的0.86 eV特征显示声子辅助隧穿增强的热发射,与广泛报道的E2 (FeGa)缺陷一致。低zr掺杂晶体的0.71 eV (E16)特征也表现出声子辅助隧穿发射增强。考虑到zr掺杂二极管的高掺杂也增加了电场,我们提出zr掺杂最高的样品中的0.59 eV特征可能对应于低掺杂样品中的0.71 eV特征。我们的分析强调了测试和报告场增强发射的重要性,特别是在DLTS和β - ga2o3的其他表征实验中存在的电场,以及标准发射能量、横截面和lambda校正的陷阱密度。这一点很重要,因为β - ga2o3在高场器件中的预期用途和可能掺杂的许多数量级。
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引用次数: 8
Thickness-dependent quantum transport of Weyl fermions in ultra-high-quality SrRuO3 films 超高质量SrRuO3薄膜中Weyl费米子的厚度相关量子输运
Pub Date : 2020-11-07 DOI: 10.1063/5.0036837
Shingo Kaneta-Takada, Y. Wakabayashi, Y. Krockenberger, S. Ohya, Masaaki Tanaka, Y. Taniyasu, Hideki Yamamoto
The recent observation of Weyl fermions in the itinerant 4d ferromagnetic perovskite SrRuO3 points to this material being a good platform for exploring novel physics related to a pair of Weyl nodes in epitaxial heterostructures. In this letter, we report the thickness-dependent magnetotransport properties of ultra-high-quality epitaxial SrRuO3 films grown under optimized conditions on SrTiO3 substrates. Signatures of Weyl fermion transport, i.e., unsaturated linear positive magnetoresistance accompanied by a quantum oscillation having a {pi} Berry phase, were observed in films with thicknesses as small as 10 nm. Residual resistivity increased with decreasing film thickness, indicating disorder near the interface between SrRuO3 and the SrTiO3 substrate. Since this disorder affects the magnetic and electrical properties of the films, the Curie temperature decreases and the coercive field increases with decreasing thickness. Thickness-dependent magnetotransport measurements revealed that the threshold residual resistivity ratio (RRR) to observe Weyl fermion transport is 21. These results provide guidelines for realizing quantum transport of Weyl fermions in SrRuO3 near heterointerfaces.
最近在流动的四维铁磁钙钛矿SrRuO3中观察到的Weyl费米子指出,这种材料是探索外延异质结构中一对Weyl节点相关的新物理的良好平台。在这封信中,我们报告了在优化条件下在SrTiO3衬底上生长的超高质量外延SrRuO3薄膜的厚度依赖磁输运特性。Weyl费米子输运的特征,即不饱和线性正磁电阻伴随着具有{pi} Berry相的量子振荡,在厚度仅为10 nm的薄膜中被观察到。残余电阻率随薄膜厚度的减小而增大,表明SrRuO3与SrTiO3衬底界面附近存在无序现象。由于这种无序性影响了薄膜的磁性和电学性能,因此随着厚度的减小,居里温度降低,矫顽力场增大。厚度相关磁输运测量结果表明,观测Weyl费米子输运的阈值残余电阻率比(RRR)为21。这些结果为在SrRuO3异质界面附近实现Weyl费米子的量子输运提供了指导。
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引用次数: 19
期刊
arXiv: Materials Science
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