Materials Today Physics最新文献_第5页

Structuring and patterning approaches for diamond – Toward the third dimension 菱形的结构和图案方法-朝向第三维度

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2026-01-01 DOI: 10.1016/j.mtphys.2025.101995

Stephan Handschuh-Wang , Zhicheng Xing , Tao Wang

Single crystal diamonds and diamond films are attractive materials for a broad variety of applications due to the intriguing properties of diamond and the ability to tailor the electrical conductivity and surface functionalization. Many applications require a specific roughness, high surface area, a specific 3-dimensional shape, a specific pattern, or a mixture thereof. However, machining, sculpting, and patterning of diamond is challenging due to diamond's growth mechanism, high hardness, wear resistance, and brittleness, rendering machining of diamond arduous. In the last decades, a variety of bottom-up and top-down methods to synthesize diamond with controlled roughness and structures has been established. This review summarizes methods to obtain diamond patterns and diamond films with controlled roughness, microstructures, nanostructures, and porous diamond. Indeed, controlled diamond structures synthesis via both bottom-up and top-down approaches have advanced considerably. The methods themselves are introduced in combination with their merits, detriments, and their capabilities, hinting towards applications of such structures. The discussion is supplemented by recent developments and advances of the controlled synthesis methods. The review is divided into methods for obtaining patterns and structures as well as methods to control the micro- and nanostructure, to control roughness of diamond films, or to obtain ultra-smooth diamond films. This review serves as a timely summary of experimental techniques and recent developments for researchers planning to generate structured or patterned diamond.

单晶金刚石和金刚石薄膜是一种具有广泛应用前景的材料，因为金刚石具有独特的特性和可定制电导率和表面功能化的能力。许多应用需要特定的粗糙度、高表面积、特定的三维形状、特定的图案或其混合物。然而，由于金刚石的生长机制、高硬度、高耐磨性和脆性，使金刚石的加工、雕刻和图案加工具有挑战性。在过去的几十年里，已经建立了各种自下而上和自上而下的方法来合成具有可控粗糙度和结构的金刚石。本文综述了获得金刚石图案、控制粗糙度的金刚石薄膜、微观结构、一维纳米结构和多孔金刚石的方法。事实上，通过自下而上和自上而下的方法合成的可控金刚石结构已经取得了相当大的进展。结合方法本身的优缺点和能力进行了介绍，并对这种结构的应用进行了提示。讨论还补充了控制合成方法的最新发展和进展。本文分为获得模式和结构的方法、控制微纳米结构的方法、控制金刚石膜粗糙度的方法和获得超光滑金刚石膜的方法。这篇综述是对实验技术和最新发展的及时总结，为研究人员计划产生结构或图案钻石。

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引用次数: 0

Integrated micromagnetics-domain-magnetization analysis unveils the characteristic pinning behavior in hot-deformed Nd-Fe-B magnets 集成微磁-域磁化分析揭示了热变形钕铁硼磁体的特征钉钉行为

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2026-01-01 DOI: 10.1016/j.mtphys.2025.101999

Yuqing Li , Yan Pan , Hanfei Liu , Lingqi Liu , Mengying Bian , Weiqiang Liu , Weixing Xia , Ming Yue

Hot-deformed (HD) Nd-Fe-B magnets achieve high coercivity by grain boundary pinning the domain wall motion due to the fine grain size. A thorough understanding of this pinning behavior can guide the leveraging of this advantage to achieve high-coercivity magnets without heavy rare earths. This work investigated the pinning behavior during magnetization and demagnetization of a typical HD Nd-Fe-B magnet by combining micromagnetic simulations, dynamic domain observation, and macroscopic technical magnetization analysis. Micromagnetic simulations reveal a variety of heterogeneous pinning sites. Combined with domain wall energy analysis, this provides a new perspective on the straight, trans-granular domain walls observed at the thermal demagnetization state. Domain evolution and the macroscopic magnetization analysis describe how the reversible portion transforms into the irreversible portion in the magnetization process in a low magnetic field, and further demonstrate the coexistence of asymmetric, weak, and strong pinning. Based on these findings, we argue that both the positive δm peaks and the open recoil loops in HD Nd-Fe-B magnets stem from their characteristic pinning behavior. The former arises because the initial states for magnetization and demagnetization differ. Hence, domain walls enter strong pinning sites at different stages, whereas the latter occurs because weak pinning sites impede reversible domain wall motion. Our findings enrich the coercivity theory of permanent magnetic materials by elucidating domain-wall pinning mechanisms at the sub-micrometer scale and provide a reliable reference for developing high-coercivity magnets.

热变形钕铁硼磁体由于晶粒尺寸细小，通过晶界钉住畴壁运动而获得高矫顽力。对这种钉住行为的透彻理解可以指导利用这一优势来实现不含重稀土的高矫顽力磁体。本文采用微磁模拟、动态畴观测和宏观技术磁化分析相结合的方法，研究了典型HD Nd-Fe-B磁体在磁化和退磁过程中的钉钉行为。微磁模拟显示了多种异质钉钉位点。结合畴壁能量分析，为热退磁状态下观察到的直晶畴壁提供了新的视角。畴演化和宏观磁化分析描述了在低磁场下磁化过程中可逆部分向不可逆部分转变的过程，进一步证明了不对称、弱、强钉钉的共存。基于这些发现，我们认为HD Nd-Fe-B磁体的正δm峰和开放反冲回路都源于其特有的钉钉行为。前者的产生是因为磁化和退磁的初始状态不同。因此，结构域壁在不同阶段进入强钉钉位点，而后者的发生是因为弱钉钉位点阻碍了可逆的结构域壁运动。我们的发现丰富了永磁材料的矫顽力理论，在亚微米尺度上阐明了畴壁钉钉机理，为开发高矫顽力磁体提供了可靠的参考。

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引用次数: 0

Ultrafast self-powered solar blind UV photodetectors based on amorphous Ga2O3 thin films in crossbar geometry 基于横杆非晶Ga2O3薄膜的超快自供电太阳盲紫外光电探测器

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2026-01-01 DOI: 10.1016/j.mtphys.2025.102007

Amit K. Das , Vikas Kumar Sahu , R.S. Ajimsha , Sunil Verma , Pankaj Misra

Amorphous gallium oxide (a-Ga₂O₃) based UV photodetectors combine the benefits of low growth temperature, large-area processibility and use of flexible, inexpensive substrates with performance comparable to their crystalline counterparts. Despite these advantages, their photoresponse time is notably slower. To mitigate this, ultrafast vertical Schottky type Au/a-Ga₂O₃/ITO solar blind ultraviolet photodetectors have been developed in crossbar geometry, wherein the a-Ga₂O₃ thin film, deposited by RF magnetron sputtering, is sandwiched between the bottom ITO and orthogonal top semi-transparent Au Schottky electrodes. The device sizes vary from ∼8 to 12 mm². The temporal UV photoresponse measurement of the devices at zero bias shows ultrafast response with both rise and fall times of ∼2 μs, which is the fastest reported till date for a-Ga₂O₃ based UV photodetectors. The zero bias spectral responsivity measurement reveals that the responsivity peaks at 250 nm with the cut-off at 273 nm. The maximum self-powered spectral responsivity of ∼14 mA/W obtained in these crossbar devices is comparable to that of a-Ga₂O₃ based devices reported in literature. These crossbar Au/a-Ga₂O₃/ITO devices showing ultrafast self-powered solar blind UV photoresponse are promising for applications requiring fast solar blind UV detectors such as UV communication, imaging, missile plume detection etc.

基于非晶氧化镓（a-Ga2O3）的紫外光电探测器结合了低生长温度、大面积可加工性和使用柔性、廉价衬底的优点，其性能可与晶体相媲美。尽管有这些优点，它们的光响应时间明显较慢。为了减轻这一问题，在横杆几何结构中开发了超快垂直肖特基型Au/a-Ga2O3/ITO太阳盲紫外光电探测器，其中，通过射频磁控溅射沉积的a-Ga2O3薄膜夹在底部ITO和正交顶部半透明Au - Schottky电极之间。器件尺寸从~ 8到12mm2不等。器件在零偏置下的时间紫外光响应测量显示出超快的响应，上升和下降时间均为~ 2 μs，这是迄今为止报道的基于a-Ga2O3的紫外光电探测器中最快的。零偏光谱响应率测量表明，响应率在250 nm处达到峰值，截止点为273 nm。在这些交叉棒器件中获得的最大自供电光谱响应率为~ 14 mA/W，与文献中报道的基于a-Ga2O3的器件相当。这些横条Au/a-Ga2O3/ITO器件显示了超快的自供电太阳盲紫外光响应，对于需要快速太阳盲紫外探测器的应用，如紫外通信、成像、导弹羽流探测等，具有很大的前景。

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引用次数: 0

Realizing overall trade-off of giant caloric effect, wide working temperature range and ultrahigh cyclic stability in Ni-Co-Mn-Ti-B multiferroic phase transformation alloy 实现了Ni-Co-Mn-Ti-B多铁相变合金巨热效应、宽工作温度范围和超高循环稳定性的综合权衡

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2026-01-01 DOI: 10.1016/j.mtphys.2025.102001

Ziqi Guan , Haoxuan Liu , Hongyuan Tang , Yanze Wu , Xiaowen Hao , Zhenzhuang Li , Jing Bai , Yafei Kuang , Xing Lu , Liang Zuo

Solid-state refrigeration materials have attracted considerable attention due to their promising applications in low-carbon refrigeration technology. Given that the refrigeration performances of solid-state refrigeration materials are intrinsically correlated or even inversely related, an overall trade-off is necessitated. Here, we present a directionally solidified (Ni₃₇Co₁₃Mn_33.8Ti_16.2)_98.7B_1.3 alloy that exhibits outstanding comprehensive properties. Its fracture compressive strain and strength are 19.0 % and 2454 MPa at room temperature, respectively. Under external field excitation, the alloy demonstrates a giant elastocaloric adiabatic temperature change of 30.1 K and can also yield a large magnetic entropy change of 33.7 J kg⁻¹ K⁻¹. More importantly, the combination of multiple caloric effects extends the working temperature range of the present alloy over 240 K. Furthermore, a large elastocaloric adiabatic temperature change between loading and unloading during fatigue is about 11 K and can be maintained for more than 73,000 cycles. Experimental and first-principles calculations reveal that the outstanding comprehensive properties of the present alloy are primarily attributed to the synergistic interaction of large lattice vibration entropy, strong preferred orientation, second phase strengthening, and grain boundary strengthening. Such a combination renders the present alloy state-of-the-art refrigeration functional behavior and is expected to benefit the practical applications of solid-state refrigeration.

固态制冷材料因其在低碳制冷技术中的应用前景而备受关注。鉴于固态制冷材料的制冷性能是内在相关的，甚至是负相关的，因此需要一个整体的权衡。本文制备了一种具有优异综合性能的定向凝固（Ni37Co13Mn33.8Ti16.2）98.7B1.3合金。室温下，其断裂抗压应变和强度分别为19.0%和2454 MPa。在外场激励下，合金表现出30.1 K的巨大热弹性绝热温度变化和33.7 J kg−1 K−1的大磁熵变化。更重要的是，多种热效应的结合将合金的工作温度范围扩大到240 K以上。此外，在疲劳期间，加载和卸载之间的大弹性热绝热温度变化约为11 K，可以保持超过73,000次循环。实验和第一性原理计算表明，大晶格振动熵、强择优取向、第二相强化和晶界强化的协同作用是合金优异的综合性能的主要原因。这样的组合使目前的合金具有最先进的制冷功能行为，并有望有利于固态制冷的实际应用。

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引用次数: 0

Observation of ultra-long range topological proximity effect induced by interfacial band inversion 界面带反演引起的超远程拓扑邻近效应的观察

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2026-01-01 DOI: 10.1016/j.mtphys.2026.102012

Bin Li , Qiangsheng Lu , Xiangbin Cai , Shuigang Xu , Yipu Xia , Wingkin Ho , Ning Wang , Chang Liu , Maohai Xie

A topological phase transition (TPT) is realized in rhombohedral Sb

_{2}

Se

_{3}

via interfacial proximity. Molecular beam epitaxy (MBE) enables the epitaxial growth of Sb

_{2}

Se

_{3}

on Bi

_{2}

Se

_{3}

, a strong topological insulator (STI), and on In

_{2}

Se

_{3}

, an ordinary insulator (OI). Angle-resolved photoemission spectroscopy (ARPES) reveals a Dirac cone in Sb

_{2}

Se

_{3}

/Bi

_{2}

Se

_{3}

up to 15 nm thickness, in dramatic contrast to the full bandgap observed in Sb

_{2}

Se

_{3}

/In

_{2}

Se

_{3}

. Structural characterization confirms strain-free interfaces and identical crystal phases. A

k \cdot p

model has been developed to interpret the ultra-long range proximity effect. These results demonstrate ultra-long range topological order propagation driven by interfacial band hybridization, resolving longstanding debates on the energy band topology of Sb

_{2}

Se

_{3}

and establishing heterostructuring as a route to engineer quantum phases.

在菱面体Sb2Se3中，通过界面接近实现了拓扑相变。分子束外延（MBE）可以使Sb2Se3在强拓扑绝缘体Bi2Se3 （STI）和普通绝缘体In2Se3 （OI）上外延生长。角分辨光发射光谱（ARPES）显示，Sb2Se3/Bi2Se3中存在厚度达15 nm的狄拉克锥，与Sb2Se3/In2Se3中观察到的全带隙形成鲜明对比。结构表征证实了无应变界面和相同的晶相。建立了一个k⋅p模型来解释超远程接近效应。这些结果证明了界面带杂化驱动的超长距离拓扑顺序传播，解决了Sb2Se3的能带拓扑结构的长期争论，并建立了异质结构作为工程量子相的途径。

引用次数: 0

Enhancing outcoupling of near-field radiative heat transfer via magnetic dipole resonance 磁偶极子共振增强近场辐射传热的脱耦性

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2026-01-01 DOI: 10.1016/j.mtphys.2025.101990

Wei-Hsuan Kung , Wei-Hsuan Huang , Bo-Yi Chen , Yu-Chen Chen , Shu-Hsien Chen , Hsuen-Li Chen

The near-field radiative heat transfer (NFRHT) between materials is crucial in near-field applications. In this study, near-field thermal radiation was generated by the interaction of surface phonon polaritons (SPhPs) with magnetic dipole resonances. The results revealed that the emission enhancement far exceeded the levels expected from a low coverage of Si particles. Moreover, adjusting the particle size enhanced the emission of different polar materials. The experimental results revealed that only 1.7 % Si-particle surface coverage could enhance the average emissivity of SiC within the Reststrahlen band by 2.47 times. The simulation and experimental results indicate that Si particles could successfully outcouple energy with the SPhPs of polar materials in the near-field range, and then scatter electromagnetic energy to the far field. This study demonstrated that spin coating with Si particles is a simple, low-cost, and nondestructive method for effectively increasing surface emission. This Si-based thermal radiant antenna holds strong potential for application to far-field emissions of near-field energy from polar materials.

材料间的近场辐射传热在近场应用中具有重要意义。在本研究中，近场热辐射是由表面声子极化子（SPhPs）与磁偶极子共振相互作用产生的。结果表明，发射增强远远超过了低硅颗粒覆盖率的预期水平。此外，调整颗粒尺寸可以增强不同极性材料的发射。实验结果表明，仅1.7%的硅颗粒表面覆盖率就可以使SiC在Reststrahlen波段内的平均发射率提高2.47倍。仿真和实验结果表明，硅粒子能够在近场范围内成功地与极性材料的SPhPs脱偶，从而将电磁能量散射到远场。该研究表明，硅粒子自旋涂层是一种简单、低成本、无损的有效提高表面发射的方法。这种硅基热辐射天线在极性材料的近场能量远场发射中具有很强的应用潜力。

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引用次数: 0

Novel zero-dimensional halide perovskite Li2Hf(Br,I)6 with red/NIR emission wavelength for thermal neutron detection 新型零维卤化物钙钛矿Li2Hf(Br，I)6，红外/近红外发射波长用于热中子探测

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2026-01-01 DOI: 10.1016/j.mtphys.2025.101997

Chihaya Fujiwara , Shunsuke Kurosawa , Akihiro Yamaji , Akira Yoshikawa , Nishiki Matsubayashi , Takushi Takata , Hiroki Tanaka

Novel neutron Li₂Hf(Br,I)₆ scintillators were developed, and their luminescence and scintillation properties were investigated both experimentally and via density functional theory calculations. The development of conventional neutron scintillators has been dominated by materials with emission wavelengths in the range of 400–500 nm that have wavelength sensitivity of photomultiplier tubes (PMTs). However, with the recent emergence of detectors having higher quantum efficiencies than PMTs, such as Si-based photodetectors, there is a need for neutron scintillators with red-to-near-infrared (red/NIR) emission wavelengths that match the wavelength sensitivity of these detectors. Therefore, this study demonstrates that Li₂Hf(Br,I)₆ exhibits self-trapped exciton emission under both X-ray and thermal neutron irradiation, with an emission peak at approximately 650 nm, which is 100–200 nm longer than the corresponding peak wavelength of conventional neutron scintillators. The emission wavelength of Li₂Hf(Br,I)₆ matches the wavelength sensitivity of Si-APD. In addition, Li₂HfBr₄I₂ is the first neutron scintillator to combine emission in the red/NIR region with a high light output of approximately 40,000 photons per thermal neutron, which is six to seven times that observed in commercial Ce:Li-glass (GS20). Furthermore, the pulse shape discrimination (PSD) Figure of Merit (FOM) was found to be 2.47, indicating excellent neutron/gamma-ray discrimination capability. This study opens a new avenue for both red/NIR emission and high-light-output neutron scintillators.

研制了新型中子Li2Hf(Br，I)6闪烁体，并通过实验和密度泛函理论计算对其发光和闪烁特性进行了研究。传统中子闪烁体的发展一直以发射波长在400 - 500nm范围内的材料为主，这些材料具有光电倍增管（pmt）的波长灵敏度。然而，随着最近出现了比pmt具有更高量子效率的探测器，例如硅基光电探测器，需要具有与这些探测器的波长灵敏度相匹配的红至近红外（NIR）发射波长的中子闪烁体。因此，本研究表明，Li2Hf(Br，I)6在x射线和热中子辐照下均表现出自俘获激子发射，发射峰约为650 nm，比传统中子闪烁体的相应峰值波长长100-200 nm。Li2Hf(Br，I)6的发射波长符合Si-APD的波长灵敏度。此外，Li2HfBr4I2是第一个将近红外区域的发射与每个热中子约40,000光子的高光输出结合起来的中子闪烁体，这是在商用Ce: li玻璃（GS20）中观察到的六到七倍。此外，脉冲形状判别（PSD）优值（FOM）为2.47，表明具有良好的中子/伽马射线判别能力。该研究为红/红外发射和高光输出中子闪烁体开辟了一条新的途径。

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引用次数: 0

Machine learning aided bandgap and defect engineering of mixed halide perovskites for photovoltaic applications 机器学习辅助光电应用中混合卤化物钙钛矿的带隙和缺陷工程

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2026-01-01 DOI: 10.1016/j.mtphys.2025.102003

Ayush Kumar Pandey , Vivek Pandey , Abhishek Tewari

Harnessing the potential of mixed-halide perovskites demands overcoming two core challenges: a vast compositional space and the trade-off between optoelectronic performance and long-term operational stability. A central component of this stability challenge is the material’s defect energetics, as vacancy formation drives ion migration and material degradation. Most strategies treat these objectives sequentially; here, we present a machine-learning pipeline that co-optimizes both bandgap and defect formation energies (DFEs). We augmented an existing bandgap dataset of 1044 halide perovskites with A-, B-, and X-site DFEs computed using the pre-trained Crystal Hamiltonian Graph Neural Network (CHGNet) universal potential. A key advance is the robust generalization of the ML models trained on single-halide perovskites to chemically diverse mixed compositions. The findings were validated against Density Functional Theory (DFT) and CHGNet calculations across 30 mixed compounds with mean absolute errors of 0.12 eV for bandgaps and 0.13 eV for defect energetics. Using these surrogates, a multi-objective genetic algorithm identified a Pareto front of high-performance candidates for photovoltaic applications. Exploratory data analysis uncovers a quantitative control hierarchy and two opposing trends. While B–X chemistry dictates the primary bandgap and the inorganic framework’s intrinsic stability, A-site chemistry exerts a secondary tuning effect: linear-alkyl elongation systematically softens the framework, whereas successive N-methylation hardens it. These findings establish a transferable, hierarchical design protocol, offering a generalizable blueprint for the accelerated discovery of durable, high-performance perovskites.

利用混合卤化物钙钛矿的潜力需要克服两个核心挑战：巨大的成分空间和光电性能与长期运行稳定性之间的权衡。这种稳定性挑战的一个核心组成部分是材料的缺陷能量学，因为空位的形成驱动离子迁移和材料降解。大多数战略是按顺序处理这些目标的；在这里，我们提出了一个共同优化带隙和缺陷形成能量（dfe）的机器学习管道。我们使用预训练的晶体哈密顿图神经网络（CHGNet）通用势计算了A、B和x位dfe，增强了现有的1044个卤化物钙钛矿带隙数据集。一个关键的进步是对单卤化物钙钛矿训练的ML模型的鲁棒泛化到化学上多样化的混合成分。利用密度泛函理论（DFT）和CHGNet对30种混合化合物的计算结果进行了验证，带隙的平均绝对误差为0.12 eV，缺陷能量学的平均绝对误差为0.13 eV。利用这些替代物，多目标遗传算法确定了光伏应用的高性能候选帕累托前沿。探索性数据分析揭示了数量控制层次和两个相反的趋势。虽然B-X化学决定了初级带隙和无机骨架的固有稳定性，但a -位点化学发挥了次级调节效应：线性烷基延伸系统地软化了骨架，而连续的n -甲基化则使其硬化。这些发现建立了一个可转移的、分层的设计协议，为加速发现耐用、高性能的钙钛矿提供了一个通用的蓝图。

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引用次数: 0

Anomalous temperature evolution of lattice anharmonicity and thermal transport in orthorhombic SnSe 正交SnSe晶格非调和性和热输运的反常温度演化

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2025-12-26 DOI: 10.1016/j.mtphys.2025.102004

Tianxiang Jiang , Wujie Qiu , Haijuan Zhang , Jifen Wang , Kunpeng Zhao , Huaqing Xie

Controlling lattice anharmonicity is key to optimizing thermal transport in thermoelectric materials. SnSe, a layered IV-VI semiconductor with ultralow lattice thermal conductivity, challenges the conventional view that phonon anharmonicity monotonically increases with temperature. First-principles calculations combined with the temperature-dependent effective potential (TDEP) method reveal that at 10 K, a low-frequency B_2u optical soft mode involving interlayer displacements of both Se and Sn atoms, with Se contributing slightly higher at 10 K shows pronounced imaginary frequencies, indicating strong nonperturbative high-order anharmonicity and dynamical instability. Potential energy surface (PES) mapping uncovers shallow asymmetric features that localize vibrations and activate scattering channels beyond three-phonon Umklapp processes, giving exceptionally short low-frequency phonon lifetimes. Heating to 300 K flattens and symmetrizes the PES, suppresses high-order force constant contributions, hardens the soft mode, and restores quasi-harmonic stability. Correspondingly, acoustic Grüneisen parameters drop from 8.3 to 2.5, and lifetimes follow classical T⁻¹ Umklapp scaling. Temperature-specific Boltzmann transport calculations reproduce experimental conductivities, confirming that low-temperature transport is dominated by high-order nonperturbative scattering, while high-temperature behavior is governed by conventional three-phonon processes. This establishes a microscopic picture in which anharmonicity can decrease with temperature, guiding the design of low-κ thermoelectric and phononic materials.

控制晶格非调和性是优化热电材料热输运的关键。SnSe是一种具有超低晶格热导率的层状IV-VI半导体，挑战了声子非调和性随温度单调增加的传统观点。第一性原理计算结合温度相关有效势（TDEP）方法表明，在10 K时，涉及Se和Sn原子层间位移的低频B2u光学软模（Se在10 K时的贡献略高）显示出明显的虚频率，表明强的非微扰高阶非调和性和动力学不稳定性。势能面（PES）映射揭示了局部振动的浅层不对称特征，并激活了超过三声子Umklapp过程的散射通道，从而提供了极短的低频声子寿命。加热到300 K会使PES变平和对称，抑制高阶力常数的贡献，硬化软模，恢复准谐波稳定性。相应地，声学颗粒尼森参数从8.3降至2.5，寿命遵循经典的T−1 Umklapp缩放。特定温度的玻尔兹曼输运计算再现了实验电导率，证实了低温输运由高阶非微扰散射主导，而高温行为由传统的三声子过程控制。这建立了一个微观图像，其中非谐波可以随温度降低，指导低κ热电和声子材料的设计。

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引用次数: 0

Advances in bionic vision research based on optoelectronic memristors: materials, device properties and systems 基于光电忆阻器的仿生视觉研究进展：材料、器件性能和系统

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today Physics

Pub Date : 2025-12-24 DOI: 10.1016/j.mtphys.2025.102000

Jinchang Meng, Ningqiang Shi, Tingwei Yan, Yang Wan, Ling Li

Optoelectronic Memristors (OMs) represent a significant hardware foundation for constructing artificial visual neural networks. As a novel class of integrated sensory-memory-computing devices, they hold great promise for overcoming the bottlenecks inherent in traditional von Neumann computing architectures. Leveraging desirable characteristics such as high bandwidth and low power consumption, OMs integrate optical sensing, information storage, and neuromorphic computing functionalities. This integration endows them with substantial potential for brain-inspired visual neural systems. This review summarizes recent progress in OMs, focusing on materials and physical mechanisms, performance metrics, and multi-mode in-sensor computing applications. The applications of oxides, two-dimensional materials, chalcogenides, and biomaterials in OMs are detailed, with corresponding operating mechanisms analyzed. Subsequently, the fundamental electrical properties and optoelectronic response characteristics of OMs are analyzed. Furthermore, synaptic plasticity in OMs is discussed, encompassing short-term/long-term plasticity learning rules and other neuromorphic functionalities emulation, based on their inherent neuromorphic properties. Additionally, applications of OMs in Boolean logic operations, artificial vision systems, and wearable neuromorphic devices are examined. Conclusively, the primary advantages, persistent challenges, and emerging research trajectories of OMs are synthesized. This analysis establishes foundational insights for advancing brain-inspired neural systems.

光电忆阻器是构建人工视觉神经网络的重要硬件基础。作为一种新型的集成感觉-记忆-计算设备，它们有望克服传统冯·诺依曼计算体系结构中固有的瓶颈。利用高带宽和低功耗等理想特性，OMs集成了光传感、信息存储和神经形态计算功能。这种整合使它们具有巨大的潜力来开发大脑启发的视觉神经系统。本文综述了OMs的最新进展，重点是材料和物理机制、性能指标和多模式传感器内计算应用。详细介绍了氧化物、二维材料、硫族化合物和生物材料在OMs中的应用，并分析了其作用机理。随后，分析了OMs的基本电学特性和光电响应特性。此外，本文还讨论了OMs的突触可塑性，包括短期/长期可塑性学习规则和其他基于其固有神经形态特性的神经形态功能模拟。此外，OMs在布尔逻辑运算、人工视觉系统和可穿戴神经形态设备中的应用也进行了研究。最后，综合了OMs的主要优势、持续挑战和新兴研究轨迹。这一分析为推进大脑启发的神经系统建立了基础见解。

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引用次数: 0