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A Pathway to Efficient Simulations of Charge Density Waves in Transition Metal Dichalcogenides: A Case Study for TiSe2 高效模拟过渡金属二卤化物中电荷密度波的途径:TiSe2 案例研究
Pub Date : 2024-04-11 DOI: arxiv-2404.07414
Li Yin, Hong Tang, Tom Berlijn, Adrienn Ruzsinszky
Charge density waves (CDWs) in transition metal dichalcogenides are thesubject of growing scientific interest due to their rich interplay with exoticphases of matter and their potential technological applications. Here, usingdensity functional theory with advanced meta-generalized gradientapproximations (meta-GGAs) and linear response time-dependent densityfunctional theory (TDDFT) with state-of-the-art exchange-correlation kernels,we investigate the electronic, vibrational, and optical properties in 1T-TiSe2with and without CDW. In both bulk and monolayer TiSe2, the electronic bandsand phonon dispersions in either normal (semi-metallic) or CDW (semiconducting)phase are described well via meta-GGAs, which separate the valence andconduction bands just as HSE06 does but with significantly more computationalfeasibility. Instead of the underestimated gap with standardexchange-correlation approximations and the overestimated gap with screenedhybrid functional HSE06, the band gap of the monolayer TiSe2 CDW phasecalculated by the meta-GGA MVS (151 meV) is consistent with the angle-resolvedphotoemission spectroscopy (ARPES) gap of 153 meV measured at 10 K. Inaddition, the gap of bulk TiSe2 CDW phase reaches 67 meV within the TASKapproximation, close to the ARPES gap of 82 meV. Regarding excitations ofmany-body nature, for bulk TiSe2 in normal and CDW phases, the experimentallyobserved humps of electron energy loss spectroscopy and plasmon peak aresuccessfully reproduced in TDDFT, without an obvious kernel dependence. Tounleash the full scientific and technological potential of CDWs in transitionmetal dichalcogenides, the chemical doping, heterostructure engineering, andpump-probe techniques are needed. Our study opens the door to simulating thesecomplexities in CDW compounds from first principles by revealing meta-GGAs asan accurate low-cost alternative to HSE06.
过渡金属二钙化物中的电荷密度波(CDWs)因其与奇异物质相的丰富相互作用及其潜在的技术应用而日益受到科学界的关注。在这里,我们利用具有先进元广义梯度逼近(meta-GGAs)的密度泛函理论和具有最先进交换相关核的线性响应时变密度泛函理论(TDDFT),研究了具有和不具有 CDW 的 1T-TiSe2 的电子、振动和光学性质。在块状和单层 TiSe2 中,无论是正常相(半金属相)还是 CDW 相(半导体相)的电子带和声子色散都可以通过元 GGA 得到很好的描述,元 GGA 可以像 HSE06 那样分离价带和导带,但计算可行性要高得多。元-GGA MVS 计算出的单层 TiSe2 CDW 相的带隙(151 meV)与在 10 K 温度下测得的角度分辨光电子发射光谱(ARPES)带隙(153 meV)一致,而不是标准交换相关近似低估的带隙和筛选杂化函数 HSE06 高估的带隙。此外,在 TASK 近似算法中,块状 TiSe2 CDW 相的间隙达到 67 meV,接近 ARPES 间隙的 82 meV。关于多体性质的激发,对于正常相和 CDW 相的块状二氧化钛,在 TDDFT 中成功地再现了实验所观测到的电子能量损失谱驼峰和等离子峰,而没有明显的核依赖性。要充分发挥过渡金属二钴化物中 CDW 的科学和技术潜力,需要化学掺杂、异质结构工程和泵探技术。我们的研究揭示了元 GGAs 可作为 HSE06 的低成本精确替代品,从而为从第一原理模拟 CDW 化合物中的这些复杂性打开了大门。
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引用次数: 0
Robustness of topological magnons in disordered arrays of skyrmions 无序天幕阵列中拓扑磁子的鲁棒性
Pub Date : 2024-04-09 DOI: arxiv-2404.06541
H. Diego Rosales, Roberto E. Troncoso
The effects of disorder on the robustness of topological magnon states oftwo-dimensional ferromagnetic skyrmions is investigated. It is diagnosed byevaluating a real space topological invariant, the bosonic Bott index (BI). Thedisorder simultaneously breaks the axially symmetric shape and the crystallineordering of the skyrmions array. The corresponding magnonic fluctuations andband spectrum are determined in terms of magnetic field and strength ofdisorder. We observe the closing of the existing band gaps as the individualskyrmions start to occupy random positions. The analysis reveals thattopological states (TSs) persist beyond the perturbative limit when skyrmionsreach the glassy phase. In addition, the localization of topologicallyprotected edge states is weakened by the disordered skyrmion structure withincreasing localization length. Our findings shed light on the physicalunderstanding of the coexistence of disordered magnetic textures and theirtopological spin fluctuations.
本文研究了无序对二维铁磁天幕拓扑磁子态稳健性的影响。它是通过评估实空间拓扑不变量--玻色玻特指数(BI)来诊断的。这种失序同时打破了天磁阵列的轴对称形状和晶体有序性。相应的磁子波动和带谱是根据磁场和失序强度确定的。我们观察到,随着单个星形粒子开始占据随机位置,现有的带隙开始闭合。分析表明,当天空粒子达到玻璃相时,拓扑态(TSs)的持续时间超过了微扰极限。此外,拓扑保护边沿态的局域化会在局域化长度不断增加的过程中被无序的天融结构所削弱。我们的发现揭示了无序磁纹理与拓扑自旋波动共存的物理原理。
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引用次数: 0
Superclimbing modes in transverse quantum fluids: signature statistical and dynamical features 横向量子流体中的超爬升模式:标志性统计和动力学特征
Pub Date : 2024-04-04 DOI: arxiv-2404.03465
Chao Zhang, Massimo Boninsegni, Anatoly Kuklov, Nikolay Prokof'ev, Boris Svistunov
Superclimbing modes are hallmark degrees of freedom of transverse quantumfluids describing wide superfluid one-dimensional interfaces and/or edges withnegligible Peierls barrier. We report the first direct numeric evidence ofquantum shape fluctuations -- caused by superclimbing modes -- in simplelattice models, as well as at the free edge of an incomplete solid monolayer of$^4$He adsorbed on graphite. Our data unambiguously reveals the definingfeature of the superclimbing modes -- canonical conjugation of the edgedisplacement field to the field of superfluid phase -- and its unexpectedimplication, i.e., that superfluid stiffness can be inferred from densitysnapshots.
超爬行模式是横向量子流体的标志性自由度,它描述了宽大的超流体一维界面和/或具有可忽略的 Peierls 势垒的边缘。我们报告了在简单晶格模型中,以及在吸附在石墨上的不完全固体单层$^4$He的自由边缘,由超爬行模式引起的量子形状波动的第一个直接数值证据。我们的数据明确揭示了超爬升模式的定义特征--边缘位移场与超流体相场的典型共轭--及其意想不到的含义,即超流体刚度可以从密度快照中推断出来。
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引用次数: 0
Harnessing Orbital Hall Effect in Spin-Orbit Torque MRAM 在自旋轨道转矩 MRAM 中利用轨道霍尔效应
Pub Date : 2024-04-03 DOI: arxiv-2404.02821
Rahul Gupta, Chloé Bouard, Fabian Kammerbauer, J. Omar Ledesma-Martin, Iryna Kononenko, Sylvain Martin, Gerhard Jakob, Marc Drouard, Mathias Kläui
Spin-Orbit Torque (SOT) Magnetic Random-Access Memory (MRAM) devices offerimproved power efficiency, nonvolatility, and performance compared to staticRAM, making them ideal, for instance, for cache memory applications. Efficientmagnetization switching, long data retention, and high-density integration inSOT MRAM require ferromagnets (FM) with perpendicular magnetic anisotropy (PMA)combined with large torques enhanced by Orbital Hall Effect (OHE). We haveengineered PMA [Co/Ni]$_3$ FM on selected OHE layers (Ru, Nb, Cr) andinvestigated the potential of theoretically predicted larger orbital Hallconductivity (OHC) to quantify the torque and switching current inOHE/[Co/Ni]$_3$ stacks. Our results demonstrate a $sim$30% enhancement indamping-like torque efficiency with a positive sign for the Ru OHE layercompared to a pure Pt, accompanied by a $sim$20% reduction in switchingcurrent for Ru compared to pure Pt across more than 250 devices, leading tomore than a 60% reduction in switching power. These findings validate theapplication of Ru in devices relevant to industrial contexts, supportingtheoretical predictions regarding its superior OHC. This investigationhighlights the potential of enhanced orbital torques to improve the performanceof orbital-assisted SOT-MRAM, paving the way for next-generation memorytechnology.
与静态 RAM 相比,自旋轨道力矩(SOT)磁随机存取存储器(MRAM)器件具有更高的能效、非挥发性和性能,因此非常适合高速缓冲存储器等应用。要在 SOT MRAM 中实现高效磁化切换、长时间数据保留和高密度集成,就需要具有垂直磁各向异性(PMA)的铁磁体(FM),并通过轨道霍尔效应(OHE)增强大扭矩。我们在选定的 OHE 层(Ru、Nb、Cr)上设计了 PMA [Co/Ni]$_3$ FM,并研究了理论上预测的更大轨道霍尔电导率(OHC)的潜力,以量化 OHE/[Co/Ni]$_3$ 堆栈中的扭矩和开关电流。我们的研究结果表明,与纯铂相比,Ru OHE 层的阻尼转矩效率提高了 30%,同时,与纯铂相比,Ru OHE 层在 250 多个器件中的开关电流降低了 20%,开关功率降低了 60%以上。这些发现验证了 Ru 在与工业相关的器件中的应用,支持了有关其优异 OHC 的理论预测。这项研究凸显了增强轨道力矩改善轨道辅助 SOT-MRAM 性能的潜力,为下一代存储器技术铺平了道路。
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引用次数: 0
Integrated ultrafast all-optical polariton transistors 集成式超快全光极化子晶体管
Pub Date : 2024-04-02 DOI: arxiv-2404.01868
Pietro Tassan, Darius Urbonas, Bartos Chmielak, Jens Bolten, Thorsten Wahlbrink, Max C. Lemme, Michael Forster, Ullrich Scherf, Rainer F. Mahrt, Thilo Stöferle
The clock speed of electronic circuits has been stagnant at a few gigahertzfor almost two decades because of the breakdown of Dennard scaling, whichstates that by shrinking the size of transistors they can operate faster whilemaintaining the same power consumption. Optical computing could overcome thisroadblock, but the lack of materials with suitably strong nonlinearinteractions needed to realize all-optical switches has, so far, precluded thefabrication of scalable architectures. Recently, microcavities in the stronglight-matter interaction regime enabled all-optical transistors which, whenused with an embedded organic material, can operate even at room temperaturewith sub-picosecond switching times, down to the single-photon level. However,the vertical cavity geometry prevents complex circuits with on-chip coupledtransistors. Here, by leveraging silicon photonics technology, we showexciton-polariton condensation at ambient conditions in micrometer-sized, fullyintegrated high-index contrast grating microcavities filled with an opticallyactive polymer. By coupling two resonators and exploiting seeded polaritoncondensation, we demonstrate ultrafast all-optical transistor action andcascadability. Our experimental findings open the way for scalable, compactall-optical integrated logic circuits that could process optical signals twoorders of magnitude faster than their electrical counterparts.
近二十年来,电子电路的时钟速度一直停滞在几千兆赫兹,原因是 "戴纳缩放"(Dennard Scaling)技术的失效。"戴纳缩放 "技术认为,通过缩小晶体管的尺寸,可以在保持相同功耗的情况下加快运行速度。光计算可以克服这一障碍,但迄今为止,由于缺乏实现全光开关所需的具有适当强非线性相互作用的材料,因此无法制造出可扩展的架构。最近,强光-物质相互作用体系中的微腔实现了全光晶体管,当与嵌入式有机材料一起使用时,即使在室温下也能以亚皮秒级的开关时间工作,甚至达到单光子水平。然而,垂直腔体的几何形状阻碍了带有片上耦合晶体管的复杂电路。在这里,我们利用硅光子技术,展示了在环境条件下,在填充了光活性聚合物的微米级全集成高对比度光栅微腔中发生的激子-极化子凝聚现象。通过耦合两个谐振器和利用种子极化子凝聚,我们展示了超快全光晶体管作用和级联能力。我们的实验发现为可扩展的紧凑型全光集成逻辑电路开辟了道路,这种电路处理光信号的速度比处理电子信号的速度快两个数量级。
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引用次数: 0
Continuously tunable uniaxial strain control of van der Waals heterostructure devices 范德华异质结构器件的连续可调单轴应变控制
Pub Date : 2024-04-01 DOI: arxiv-2404.00905
Zhaoyu Liu, Xuetao Ma, John Cenker, Jiaqi Cai, Zaiyao Fei, Paul Malinowski, Joshua Mutch, Yuzho Zhao, Kyle Hwangbo, Zhong Lin, Arnab Manna, Jihui Yang, David Cobden, Xiaodong Xu, Matthew Yankowitz, Jiun-Haw Chu
Uniaxial strain has been widely used as a powerful tool for investigating andcontrolling the properties of quantum materials. However, existing straintechniques have so far mostly been limited to use with bulk crystals. Althoughrecent progress has been made in extending the application of strain totwo-dimensional van der Waals (vdW) heterostructures, these techniques havebeen limited to optical characterization and extremely simple electrical devicegeometries. Here, we report a piezoelectric-based in-situ uniaxial straintechnique enabling simultaneous electrical transport and optical spectroscopycharacterization of dual-gated vdW heterostructure devices. Critically, ourtechnique remains compatible with vdW heterostructure devices of arbitrarycomplexity fabricated on conventional silicon/silicon dioxide wafer substrates.We demonstrate a large and continuously tunable strain of up to $0.15$% atmillikelvin temperatures, with larger strain values also likely achievable. Wequantify the strain transmission from the silicon wafer to the vdWheterostructure, and further demonstrate the ability of strain to modify theelectronic properties of twisted bilayer graphene. Our technique provides ahighly versatile new method for exploring the effect of uniaxial strain on boththe electrical and optical properties of vdW heterostructures, and can beeasily extended to include additional characterization techniques.
单轴应变已被广泛用作研究和控制量子材料特性的有力工具。然而,迄今为止,现有的应变技术大多仅限于用于块状晶体。虽然最近在将应变应用扩展到二维范德华(vdW)异质结构方面取得了进展,但这些技术仅限于光学表征和极其简单的电子器件几何结构。在此,我们报告了一种基于压电的原位单轴应变技术,它能同时对双栅范德华异质结构器件进行电传输和光学光谱表征。重要的是,我们的技术与在传统硅/二氧化硅晶片衬底上制造的任意复杂度的 vdW 异质结构器件保持兼容。我们展示了高达 0.15 美元/开尔文温度的大应变和连续可调应变,更大的应变值也有可能实现。我们对从硅片到 vdW 异质结构的应变传输进行了量化,并进一步证明了应变改变扭曲双层石墨烯电子特性的能力。我们的技术为探索单轴应变对 vdW 异质结构的电学和光学特性的影响提供了一种通用性很强的新方法,并可轻松扩展到其他表征技术。
{"title":"Continuously tunable uniaxial strain control of van der Waals heterostructure devices","authors":"Zhaoyu Liu, Xuetao Ma, John Cenker, Jiaqi Cai, Zaiyao Fei, Paul Malinowski, Joshua Mutch, Yuzho Zhao, Kyle Hwangbo, Zhong Lin, Arnab Manna, Jihui Yang, David Cobden, Xiaodong Xu, Matthew Yankowitz, Jiun-Haw Chu","doi":"arxiv-2404.00905","DOIUrl":"https://doi.org/arxiv-2404.00905","url":null,"abstract":"Uniaxial strain has been widely used as a powerful tool for investigating and\u0000controlling the properties of quantum materials. However, existing strain\u0000techniques have so far mostly been limited to use with bulk crystals. Although\u0000recent progress has been made in extending the application of strain to\u0000two-dimensional van der Waals (vdW) heterostructures, these techniques have\u0000been limited to optical characterization and extremely simple electrical device\u0000geometries. Here, we report a piezoelectric-based in-situ uniaxial strain\u0000technique enabling simultaneous electrical transport and optical spectroscopy\u0000characterization of dual-gated vdW heterostructure devices. Critically, our\u0000technique remains compatible with vdW heterostructure devices of arbitrary\u0000complexity fabricated on conventional silicon/silicon dioxide wafer substrates.\u0000We demonstrate a large and continuously tunable strain of up to $0.15$% at\u0000millikelvin temperatures, with larger strain values also likely achievable. We\u0000quantify the strain transmission from the silicon wafer to the vdW\u0000heterostructure, and further demonstrate the ability of strain to modify the\u0000electronic properties of twisted bilayer graphene. Our technique provides a\u0000highly versatile new method for exploring the effect of uniaxial strain on both\u0000the electrical and optical properties of vdW heterostructures, and can be\u0000easily extended to include additional characterization techniques.","PeriodicalId":501211,"journal":{"name":"arXiv - PHYS - Other Condensed Matter","volume":"48 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140600388","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Giant and negative magnetoresistances in conical magnets 锥形磁体中的巨磁电阻和负磁电阻
Pub Date : 2024-04-01 DOI: arxiv-2404.01401
Raz Rivlis, Andrei Zadorozhnyi, Yuri Dahnovsky
We study magnetotransport in conical helimagnet crystals. Spin dependentmagnetoresistance exhibits dramatic properties for high and low electronconcentrations at different temperatures. For spin up electrons we findnegative magnetoresistance despite only considering a single carrier type. Forspin down electrons we observe giant magnetoresistance due to depletion of spindown electrons with an applied magnetic field. For spin up carriers, themagnetoresistance is negative, due to the increase in charge carriers with amagnetic field. In addition, we investigate spin dependent Hall effect. If amagnetic field reaches some critical value for spin down electrons, giant Hallresistance occurs, i.e., Hall current vanishes. This effect is explained by theabsence of spin down carriers. For spin up carriers, the Hall constantdramatically decreases with field, due to the increase in spin up electrondensity. Because of the giant spin dependent magnetoresistance and Hallresistivity, conical helimagnets could be useful in spin switching devices.
我们研究了锥形氦磁体晶体中的磁传输。自旋相关磁阻在不同温度下的高电子浓度和低电子浓度下表现出显著的特性。对于自旋上升电子,尽管只考虑了单一载流子类型,我们还是发现了负磁电阻。对于自旋向下电子,我们观察到了巨大的磁阻,这是由于自旋向下电子在外加磁场作用下耗尽所致。对于自旋上升的载流子,磁阻为负,这是由于电荷载流子在非磁场作用下会增加。此外,我们还研究了自旋相关霍尔效应。如果自旋向下电子的磁场达到某个临界值,就会出现巨大的霍尔电阻,即霍尔电流消失。这种效应可以用自旋向下载流子的缺失来解释。对于自旋向上的载流子,由于自旋向上电子密度的增加,霍尔常数随磁场的变化而急剧下降。由于具有巨大的自旋相关磁阻和霍尔电阻率,锥形螺旋磁体可用于自旋开关器件。
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引用次数: 0
Transient amplification in Floquet media: the Mathieu oscillator example Floquet 介质中的瞬态放大:马蒂厄振荡器实例
Pub Date : 2024-03-29 DOI: arxiv-2404.00138
Ioannis Kiorpelidis, Fotios K. Diakonos, Georgios Theocharis, Vincent Pagneux
The Mathieu equation occurs naturally in the description of non linearvibrations or by considering the propagation of a wave in an infinite mediumwith time-periodic refractive index. It is known to lead to parametricinstability since it supports unstable solutions in some regions of theparameter space. However, even in the stable region the matrix that propagatesthe initial conditions forward in time is non-normal and therefore it canresult in transient amplification. By optimizing over initial conditions aswell as initial time we show that significant transient amplifications can beobtained, going beyond the one simply stemming from adiabatic invariance.Moreover, we explore the monodromy matrix in more depth, by studying its$epsilon$-pseudospectra and Petermann factors, demonstrating that is thedegree of non-normality of this matrix that determines the global amplifyingfeatures.
在描述非线性振动或考虑波在具有时间周期性折射率的无限介质中的传播时,自然会出现马修方程。众所周知,该方程会导致参数不稳定性,因为它在参数空间的某些区域支持不稳定解。然而,即使在稳定区域,将初始条件在时间上向前传播的矩阵也是非正态的,因此会导致瞬态放大。通过对初始条件和初始时间进行优化,我们证明可以获得显著的瞬态放大,而不仅仅是绝热不变性带来的放大。此外,我们通过研究单色矩阵的$epsilon$伪谱和彼得曼因子,更深入地探讨了单色矩阵,证明该矩阵的非正态程度决定了全局放大特征。
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引用次数: 0
Ultrafast exciton transport in van der Waals heterostructures 范德华异质结构中的超快激子输运
Pub Date : 2024-03-28 DOI: arxiv-2403.19571
M. M. Glazov, R. A. Suris
Excitons in van der Waals heterostructures based on atomically thintransition metal dichalcogenides are considered as potential candidates for theformation of a superfluid state in two-dimensional systems. A number of studiesreported observations of ultrafast nondiffusive propagation of excitons in vander Waals heterostructures, which was considered by their authors as possibleevidence of collective effects in excitonic systems. In this paper, after abrief analysis of exciton propagation regimes in two-dimensionalsemiconductors, an alternative model of ultrafast exciton transport isproposed, based on the formation of waveguide modes in van der Waalsheterostructures and the radiation transfer by these modes.
范德瓦尔斯异质结构中的激子是二维系统中形成超流体状态的潜在候选物质。许多研究报告了范德华异质结构中激子超快非扩散传播的观测结果,其作者认为这可能是激子系统中集体效应的证据。本文在简要分析了二维半导体中的激子传播机制后,提出了另一种超快激子传输模型,该模型基于范德瓦尔斯异质结构中波导模式的形成以及这些模式的辐射传输。
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引用次数: 0
Structured illumination microscopy with extreme ultraviolet pulses 利用极紫外脉冲的结构照明显微技术
Pub Date : 2024-03-28 DOI: arxiv-2403.19382
R. Mincigrucci, E. Paltanin, J. -S. Pelli-Cresi, F. Gala, E. Pontecorvo, L. Foglia, D. De Angelis, D. Fainozzi, A. Gessini, D. S. P. Molina, O. Stranik, F. Wechsler, R. Heintzmann, G. Ruocco, F. Bencivenga, C. Masciovecchio
The relentless pursuit of understanding matter at ever-finer scales haspushed optical microscopy to surpass the diffraction limit and produced thesuper-resolution microscopy which enables visualizing structures shorter thanthe wavelength of light. In the present work, we harnessed extreme ultravioletbeams to create a sub-{mu}m grating structure, which was revealed by extremeultraviolet structured illumination microscopy. This achievement marks thefirst step toward extending such a super-resolution technique into the X-rayregime, where achieving atomic-scale resolution becomes a charming possibility.
人们不懈地追求在更小的尺度上理解物质,这推动了光学显微镜超越衍射极限,并产生了超分辨率显微镜,它能够观察到比光的波长更短的结构。在本研究中,我们利用极紫外光束创建了一个亚{/mu}m光栅结构,并通过极紫外结构照明显微镜将其显示出来。这一成果标志着我们朝着将这种超分辨率技术扩展到X射线领域迈出了第一步,在X射线领域,实现原子尺度的分辨率已成为一种可能。
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引用次数: 0
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arXiv - PHYS - Other Condensed Matter
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