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Renormalized phonon spectrum in the Su–Schrieffer–Heeger model Su-Schrieffer-Heeger模型中的重整声子谱
IF 2.7 4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-05-19 DOI: 10.1088/2515-7639/acd723
Stepan Fomichev, M. Berciu
Motivated to understand phonon spectrum renormalization in the ground state of the half-filled Su–Schrieffer–Heeger model, we use the Born–Oppenheimer approximation together with the harmonic approximation to evaluate semi-analytically the all-to-all real-space ionic force constants generated through both linear and quadratic electron-phonon coupling. We then compute the renormalized phonon spectrum and the corresponding lattice zero-point energy (ZPE) as a function of the lattice dimerization. Crucially, the latter is included in the system’s total energy, and thus has a direct effect on the equilibrium dimerization. We find that inclusion of a small quadratic coupling leads to very significant changes in the predicted equilibrium dimerization, calling into question the use of the linear approximation for this model. We also argue that inclusion of the ZPE is key for systems with comparable lattice and electronic energies, and/or for finite size chains. Our method can be straightforwardly generalized to study similar problems in higher dimensions.
为了理解半填充Su-Schrieffer-Heeger模型基态下的声子谱重整化,我们使用Born-Oppenheimer近似和谐波近似来半解析地评估线性和二次电子-声子耦合产生的全对全实空间离子力常数。然后我们计算了重正化声子谱和相应的晶格零点能量(ZPE)作为晶格二聚化的函数。至关重要的是,后者包含在系统的总能量中,因此对平衡二聚化有直接影响。我们发现,包含一个小的二次耦合导致预测平衡二聚化的非常显著的变化,对该模型的线性近似的使用提出了质疑。我们还认为,包含ZPE对于具有可比晶格和电子能量的系统和/或有限尺寸链是关键。我们的方法可以直接推广到研究高维的类似问题。
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引用次数: 0
How to grow single-crystalline and epitaxial NiTi films in (100)- and (111)-orientation 如何在(100)-和(111)取向上生长单晶和外延NiTi薄膜
IF 2.7 4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-05-16 DOI: 10.1088/2515-7639/acd604
K. Lünser, A. Undisz, K. Nielsch, S. Fähler
Understanding the martensitic microstructure in nickel–titanium (NiTi) thin films helps to optimize their properties for applications in microsystems. Epitaxial and single-crystalline films can serve as model systems to understand the microstructure, as well as to exploit the anisotropic mechanical properties of NiTi. Here, we analyze the growth of NiTi on single-crystalline MgO(100) and Al2O3(0001) substrates and optimize film and buffer deposition conditions to achieve epitaxial films in (100)- and (111)-orientation. On MgO(100), we compare the transformation behavior and crystal quality of (100)-oriented NiTi films on different buffer layers. We demonstrate that a vanadium buffer layer helps to decrease the low-angle grain boundary density in the NiTi film, which inhibits undesired growth twins and leads to higher transformation temperatures. On Al2O3(0001), we analyze the orientation of a chromium buffer layer and find that it grows (111)-oriented only in a narrow temperature range around 500 ∘C. By depositing the Cr buffer below the NiTi film, we can prepare (111)-oriented, epitaxial films with transformation temperatures above room temperature. Transmission electron microscopy confirms a martensitic microstructure with Guinier Preston-zone precipitates at room temperature. We identify the deposition conditions to approach the ideal single crystalline state, which is beneficial for the analysis of the martensitic microstructure and anisotropic mechanical properties in different film orientations.
了解镍钛(NiTi)薄膜的马氏体微观结构有助于优化其在微系统中的应用。外延膜和单晶膜可以作为模型系统来了解NiTi的微观结构,以及开发其各向异性的力学性能。在这里,我们分析了NiTi在单晶MgO(100)和Al2O3(0001)衬底上的生长,并优化了薄膜和缓冲沉积条件,以获得(100)-和(111)取向的外延薄膜。在MgO(100)上,我们比较了不同缓冲层上(100)取向NiTi薄膜的转变行为和晶体质量。研究表明,钒缓冲层有助于降低NiTi薄膜中的低角度晶界密度,从而抑制不期望的孪晶生长并导致更高的转变温度。在Al2O3(0001)上,我们分析了铬缓冲层的取向,发现它只在500°C左右的狭窄温度范围内呈(111)取向生长。通过将Cr缓冲液沉积在NiTi薄膜下面,我们可以制备出相变温度高于室温的(111)取向外延薄膜。在室温下,透射电镜证实为马氏体微观结构,并伴有吉尼尔-普雷斯顿区析出。我们确定了接近理想单晶状态的沉积条件,这有利于分析不同薄膜取向下的马氏体微观组织和各向异性力学性能。
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引用次数: 4
A study of breather lump wave, rogue wave, periodic cross kink wave, multiwave, M-shaped rational and their interactions for generalized nonlinear Schrödinger equation 广义非线性Schrödinger方程的呼吸块状波、异常波、周期交叉扭结波、多波、m形有理及其相互作用研究
4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-05-13 DOI: 10.1142/s0218863523500595
Aly R. Seadawy, Syed T. R. Rizvi, None Nimra
In this paper, we examine generalized nonlinear Schrödinger equation (GNLSE) for lump, breather lump wave, rogue wave, periodic cross kink wave, lump with one kink, lump with two kink, interaction between lump periodic and kink wave, periodic cross lump wave, periodic wave, and multiwave. Ansatz transformations will be used to study homoclinic breather, kink cross rational, M-shaped rational, periodic cross rational, M-shaped rational with one kink, M-shaped rational with two kink, M-shaped interaction with rogue and kink and M-shaped interaction with periodic and kink. We will also study the stability of the obtained solutions. Additionally, we present 3D, 2D, contour, and stream plot illustrations for our graphs.
本文研究了块状波、呼吸块状波、异常波、周期交叉扭结波、单扭结的块状波、双扭结的块状波、块状周期和扭结波之间的相互作用、周期交叉块状波、周期波和多波的广义非线性Schrödinger方程。Ansatz变换将用于研究同斜呼吸、扭结交叉有理、m形有理、周期交叉有理、单扭结m形有理、双扭结m形有理、m形与无赖和扭结相互作用、m形与周期和扭结相互作用。我们还将研究得到的解的稳定性。此外,我们还为我们的图表提供了3D, 2D,轮廓和流图插图。
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引用次数: 0
Second-harmonic generation in polycrystalline ZnSe in the absence of phase matching 无相匹配时多晶ZnSe中二次谐波的产生
4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-05-13 DOI: 10.1142/s0218863523500601
R. Shahin, A. P. Savikin, O. V. Martynova, S. V. Kurashkin, D. V. Savin
The work is devoted to the study of the second-harmonic generation (SHG) process as a result of random quasi-phase-matching of thulium laser radiation in ZnSe polycrystals. A linear dependence of the SHG efficiency on the nonlinear medium length has been observed in the experiment. The efficiencies of SHG in ZnSe polycrystals with average grain sizes from 35[Formula: see text][Formula: see text]m to 380[Formula: see text][Formula: see text]m were compared. The obtained results are in good agreement with the theory in the case of a Gaussian grain size distribution.
本文研究了铥激光辐射在ZnSe多晶中随机准相位匹配导致的二次谐波产生过程。实验中观察到SHG效率与非线性介质长度呈线性关系。比较了平均晶粒尺寸为35[公式:见文]~ 380[公式:见文]m的ZnSe多晶中SHG的效率。在高斯粒度分布的情况下,所得结果与理论一致。
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引用次数: 0
Wet-jet milling exfoliated hexagonal boron nitride as industrial anticorrosive pigment for polymeric coatings 湿喷磨脱片状六方氮化硼用于聚合物涂料的工业防腐颜料
IF 2.7 4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-04-27 DOI: 10.1088/2515-7639/acd0d8
M. Molina-García, S. Bellani, A. E. Del Río Castillo, Irene Conticello, Luca Gabatel, M. Zappia, Matilde Eredia, Sanjay B Thorat, B. Martín‐García, L. Ceseracciu, Marco Piccinni, F. Bonaccorso
The incorporation of inorganic nanofillers into polymeric matrices represents an effective strategy for the development of smart coatings for corrosion protection of metallic substrates. In this work, wet-jet milling exfoliation was used to massively produce few-layer hexagonal boron nitride (h-BN) flakes as a corrosion-protection pigment in polyisobutylene (PIB)-based composite coatings for marine applications. This approach represents an innovative advance in the application of two-dimensional (2D) material-based composites as corrosion protection systems at the industrial scale. Although rarely used as an organic coating, PIB was selected as a ground-breaking polymeric matrix for our h-BN-based composite coating thanks to its excellent barrier properties. The optimization of the coating indicates that 5 wt.% is the most effective h-BN content, yielding a corrosion rate of the protected structural steel as low as 7.4 × 10−6 mm yr−1. The 2D morphology and hydrophobicity of the h-BN flakes, together with the capability of PIB to act as a physical barrier against corrosive species, are the main reasons behind the excellent anticorrosion performance of our composite coating.
将无机纳米填料掺入聚合物基体中,是开发用于金属基体防腐蚀的智能涂层的有效策略。在这项工作中,湿射流铣削剥落被用于大规模生产少层六方氮化硼(h-BN)薄片,作为船用聚异丁烯(PIB)基复合涂料的防腐颜料。这种方法代表了二维(2D)材料基复合材料作为工业规模防腐系统应用的创新进展。虽然很少用作有机涂层,但由于其优异的阻隔性能,PIB被选为h- bn基复合涂层的突破性聚合物基体。涂层优化表明,5 wt.%的h-BN含量是最有效的,使受保护结构钢的腐蚀速率低至7.4 × 10−6 mm yr−1。h-BN薄片的二维形态和疏水性,以及PIB作为腐蚀物质的物理屏障的能力,是我们的复合涂层具有优异防腐性能的主要原因。
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引用次数: 2
Infernal and exceptional edge modes: non-Hermitian topology beyond the skin effect 无边界和特殊边缘模式:非厄米拓扑超越蒙皮效应
IF 2.7 4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-04-26 DOI: 10.1088/2515-7639/acf2ca
Marco Michael Denner, T. Neupert, F. Schindler
The classification of point gap topology in all local non-Hermitian (NH) symmetry classes has been recently established. However, many entries in the resulting periodic table have only been discussed in a formal setting and still lack a physical interpretation in terms of their bulk-boundary correspondence. Here, we derive the edge signatures of all two-dimensional phases with intrinsic point gap topology. While in one dimension point gap topology invariably leads to the NH skin effect, NH boundary physics is significantly richer in two dimensions. We find two broad classes of non-Hermitian edge states: (1) infernal points, where a skin effect occurs only at a single edge momentum, while all other edge momenta are devoid of edge states. Under semi-infinite boundary conditions, the point gap thereby closes completely, but only at a single edge momentum. (2) NH exceptional point dispersions, where edge states persist at all edge momenta and furnish an anomalous number of symmetry-protected exceptional points. Surprisingly, the latter class of systems allows for a finite, non-extensive number of edge states with a well defined dispersion along all generic edge terminations. Concomitantly, the point gap only closes along the real and imaginary eigenvalue axes, realizing a novel form of NH spectral flow.
最近建立了所有局部非厄米对称类的点隙拓扑的分类。然而,所得到的元素周期表中的许多元素只在正式环境中进行了讨论,并且根据它们的体边界对应仍然缺乏物理解释。在这里,我们导出了具有本征点隙拓扑的所有二维相的边缘特征。在一维中,点隙拓扑总是导致NH集肤效应,而在二维中,NH边界物理明显更丰富。我们发现了两大类非厄米边缘状态:(1)地狱点,其中集肤效应只发生在单个边缘动量,而所有其他边缘动量都没有边缘状态。在半无限边界条件下,点隙因此完全闭合,但仅在单边动量下闭合。(2) NH异常点色散,其中边缘状态在所有边缘动量下持续存在,并提供异常数量的对称保护异常点。令人惊讶的是,后一类系统允许有限的,非扩展数量的边缘状态,沿所有一般边缘端点具有良好定义的色散。同时,点隙仅沿实特征值轴和虚特征值轴闭合,实现了一种新的NH谱流形式。
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引用次数: 3
Magnetic Li–M (M = Ni, Ni0.8Cu0.2, Cr) layered oxides nanoparticles for Li-ion batteries electrodes 磁性Li-M (M = Ni, Ni0.8Cu0.2, Cr)层状氧化物纳米颗粒用于锂离子电池电极
IF 2.7 4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-04-24 DOI: 10.1088/2515-7639/accfbf
M. Solzi, F. Cugini, S. Scaravonati, G. Galli, D. Pontiroli, G. Attolini, T. Besagni, G. Delgado, V. Sagredo
Nanoparticles of Li–Ni, Li–(Ni, Cu) and Li–Cr layered oxides, with potential applications as cathode materials in lithium batteries, were prepared by solid-state reaction and sol-gel method. The combination of structural analysis and magnetic characterization allowed the clear identification of the phases present in the synthesized nanoparticles. The main component of Li–Ni oxide nanoparticles is the electrochemically active and ferrimagnetic phase Li1−z Ni1+z O2, whereas those of Li–Cr oxide are the antiferromagnetic phases LiCrO2 and Cr2O3. A small substitution of Cu for Ni in Li–Ni oxide determines the formation of nanoparticles in which the main phase is the antiferromagnetic phase Li1−z Ni1+z O2. Operation tests in lithium batteries and post-mortem analysis, aimed at assessing the potential of metal oxide nanoparticles as cathode materials, were performed on all samples.
采用固相反应和溶胶-凝胶法制备了Li - Ni、Li - (Ni, Cu)和Li - cr层状氧化物纳米颗粒,具有作为锂电池正极材料的应用前景。结合结构分析和磁性表征,可以清楚地识别合成纳米颗粒中存在的相。氧化Li-Ni纳米颗粒的主要成分是具有电化学活性的铁磁性相Li1−z Ni1+z O2,而氧化Li-Cr纳米颗粒的主要成分是反铁磁性相LiCrO2和Cr2O3。在Li-Ni氧化物中,少量的Cu取代Ni决定了纳米颗粒的形成,其主要相为反铁磁相Li1−z Ni1+z O2。对所有样品进行了锂电池操作测试和事后分析,目的是评估金属氧化物纳米颗粒作为正极材料的潜力。
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引用次数: 0
Magnetic-field-controlled growth of magnetoelastic phase domains in FeRh FeRh中磁弹性相域的磁场控制生长
IF 2.7 4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-04-19 DOI: 10.1088/2515-7639/acce6f
J. A. Arregi, Friederike Ringe, Jan Hajduček, O. Gomonay, Toma Molnar, Jiří Jaskowiec, V. Uhlíř
Magnetic phase transition materials are relevant building blocks for developing green technologies such as magnetocaloric devices for solid-state refrigeration. Their integration into applications requires a good understanding and controllability of their properties at the micro- and nanoscale. Here, we present an optical microscopy study of the phase domains in FeRh across its antiferromagnetic–ferromagnetic phase transition. By tracking the phase-dependent optical reflectivity, we establish that phase domains have typical sizes of a few microns for relatively thick epitaxial films (200 nm), thus enabling visualization of domain nucleation, growth, and percolation processes in great detail. Phase domain growth preferentially occurs along the principal crystallographic axes of FeRh, which is a consequence of the elastic adaptation to both the substrate-induced stress and laterally heterogeneous strain distributions arising from the different unit cell volumes of the two coexisting phases. Furthermore, we demonstrate a magnetic-field-controlled directional growth of phase domains during both heating and cooling, which is predominantly linked to the local effect of magnetic dipolar fields created by the alignment of magnetic moments in the emerging (disappearing) FM phase fraction during heating (cooling). These findings highlight the importance of the magnetoelastic character of phase domains for enabling the local control of micro- and nanoscale phase separation patterns using magnetic fields or elastic stresses.
磁相变材料是发展固态制冷用磁致热装置等绿色技术的重要组成部分。将它们集成到应用中需要对它们在微纳米尺度上的特性有很好的理解和可控性。在这里,我们提出了FeRh在其反铁磁-铁磁相变中的相域的光学显微镜研究。通过跟踪相位相关的光学反射率,我们确定相对较厚的外延膜(200 nm)的相域具有几微米的典型尺寸,从而可以非常详细地可视化畴核、生长和渗透过程。相域生长优先发生在FeRh的主晶轴上,这是对衬底诱导应力和两个共存相的不同单元胞体积引起的横向非均匀应变分布的弹性适应的结果。此外,我们证明了在加热和冷却期间磁场控制的相域定向增长,这主要与加热(冷却)期间出现(消失)FM相分数中的磁矩对准所产生的磁偶极场的局部效应有关。这些发现强调了相域的磁弹性特性对于利用磁场或弹性应力局部控制微纳米级相分离模式的重要性。
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引用次数: 1
P3HT vs Spiro-OMeTAD as a hole transport layer for halide perovskite indoor photovoltaics and self-powering of motion sensors P3HT vs Spiro-OMeTAD作为卤化物钙钛矿室内光伏和运动传感器自供电的空穴传输层
IF 2.7 4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-04-05 DOI: 10.1088/2515-7639/accaaa
Shaoyang Wang, Byeong-Cheol Kang, Sang-joon Park, T. Ha, L. Krishnan Jagadamma
Recent years have witnessed the emergence of indoor photovoltaic (PV) devices with the rapid development of the Internet of things technology field. Among the candidates for indoor PVs, halide perovskites are attracting enormous attention due to their outstanding optoelectronic properties suitable for indoor light harvesting. Here we investigated the indoor PV properties of CH3NH3PbI3-based devices using Spiro-OMeTAD and P3HT as the hole transport layers. The Spiro-OMeTAD-based devices show a consistently higher power conversion efficiency under indoor illumination and 1 sun, with the champion devices showing a power conversion efficiency of 21.0% and 30.1% for the forward and reverse scan under 1000 lux warm white LED illumination. Fewer trap states and higher carrier lifetime were revealed for Spiro-OMeTAD based devices compared to P3HT. The best-performed Spiro-OMeTAD-based devices are used to self-power a wearable motion sensor, which could detect human motion in real-time, to create a primary sensor system with independent power management. By attaching the Spiro-OMeTAD indoor PV device to the strain sensor, the sensor exhibits an accurate and sensitive response with finger bending movements with good repeatability and negligible degradation of mechanical stability, which indicates the success of sensor powering with the indoor PV device.
近年来,随着物联网技术领域的飞速发展,室内光伏设备应运而生。在室内pv的候选材料中,卤化物钙钛矿因其适合室内光采集的优异光电性能而备受关注。本文研究了以spro - ometad和P3HT作为空穴传输层的ch3nh3pbi3基器件的室内PV特性。基于spiro - ometad的器件在室内照明和1个太阳下的功率转换效率始终较高,冠军器件在1000 lux暖白光LED照明下的正向和反向扫描的功率转换效率分别为21.0%和30.1%。与P3HT相比,Spiro-OMeTAD基器件的陷阱态更少,载流子寿命更高。性能最好的基于spiro - ometad的设备用于自供电可穿戴运动传感器,该传感器可以实时检测人体运动,从而创建具有独立电源管理的主传感器系统。通过将Spiro-OMeTAD室内PV器件连接到应变传感器上,传感器具有准确灵敏的响应,手指弯曲运动具有良好的可重复性,机械稳定性的下降可以忽略,这表明室内PV器件为传感器供电成功。
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引用次数: 1
Synthesis and anisotropic magnetic properties of LiCrTe 2 single crystals with a triangular-lattice antiferromagnetic structure 具有三角形晶格反铁磁结构的LiCrTe 2单晶的合成及其各向异性磁性
IF 2.7 4区 物理与天体物理 Q2 OPTICS Pub Date : 2023-04-04 DOI: 10.1088/2515-7639/acd27a
C. Witteveen, E. Nocerino, Sara A. López-Paz, H. Jeschke, V. Pomjakushin, M. Månsson, F. V. von Rohr
We report on the synthesis of LiCrTe 2 single crystals and on their anisotropic magnetic properties. We have obtained these single crystals by employing a Te/Li-flux synthesis method. We find LiCrTe 2 to crystallize in a TlCdS 2 -type structure with cell parameters of a = 3.9512(5) Å and c = 6.6196(7) Å at T = 175 K. The content of lithium in these crystals was determined to be neary stoichiometric by means of neutron diffraction. We find a pronounced magnetic transition at TNab = 144 K and TNc = 148 K, respectively. These transition temperatures are substantially higher than earlier reports on polycrystalline samples. We have performed neutron powder diffraction measurements that reveal that the long-range low-temperature magnetic structure of single crystalline LiCrTe 2 is an A-type antiferromagnetic structure. Our DFT calculations are in good agreement with these experimental observations. We find the system to be easy axis with moments oriented along the c-direction experimentally as well as in our calculations. Thereby, the magnetic Hamiltonian can be written as H=HHeisenberg+∑iKc(Siz)2 with Kc=−0.34 K (where |Sz|=32 ). We find LiCrTe 2 to be highly anisotropic, with a pronounced metamagnetic transition for H⊥ab with a critical field of μHMM (5 K) ≈ 2.5 T. Using detailed orientation-dependent magnetization measurements, we have determined the magnetic phase diagram of this material. Our findings suggest that LiCrTe 2 is a promising material for exploring the interplay between crystal structure and magnetism, and could have potential applications in spin-based 2D devices.
本文报道了LiCrTe 2单晶的合成及其各向异性磁性能。我们采用Te/Li-flux合成方法获得了这些单晶。我们发现LiCrTe 2在T = 175 K时结晶为TlCdS 2型结构,晶胞参数为a = 3.9512(5) Å和c = 6.6196(7) Å。用中子衍射法测定了这些晶体中锂的含量是接近化学计量的。我们发现在TNab = 144k和TNc = 148k处分别有明显的磁跃迁。这些转变温度大大高于早先报道的多晶样品。我们进行了中子粉末衍射测量,发现单晶LiCrTe 2的长程低温磁结构为a型反铁磁结构。我们的DFT计算结果与这些实验观测结果很好地吻合。在实验和计算中,我们发现该系统具有沿c方向的易轴矩。因此,磁哈密顿量可以写成H= heisenberg +∑iKc(Siz)2,其中Kc=−0.34 K(其中|Sz|=32)。我们发现LiCrTe 2具有高度的各向异性,具有μHMM (5k)≈2.5 t的临界场的H⊥ab的明显的超磁跃迁,使用详细的方向相关磁化测量,我们确定了该材料的磁相图。我们的研究结果表明,LiCrTe 2是一种很有前途的材料,用于探索晶体结构和磁性之间的相互作用,并可能在基于自旋的二维器件中有潜在的应用。
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引用次数: 0
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Journal of Nonlinear Optical Physics & Materials
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