Solid State Sciences最新文献_第2页

Preparation and sintering behavior of micron-sized spherical silver particles modified by benzotriazole: Enhanced activity via Ag-N coordination 苯并三唑修饰微米级球形银颗粒的制备及烧结行为：Ag-N配位增强活性

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-05-01 Epub Date: 2026-02-09 DOI: 10.1016/j.solidstatesciences.2026.108258

Cheng Tang , Zhen Wang , Shunli Yu , Menghao Wang , Haiping Yu , Shenghua Ma

Silver pastes are widely used in semiconductor metallization processes, with silver powder accounting for the highest proportion of the paste components. The morphology and particle size of silver powder are key factors influencing sintering activity. Therefore, in this study, ascorbic acid and hydroquinone were respectively used as reducing agents to synthesize spherical silver particles with different particle sizes and surface characteristics via the liquid-phase reduction method. The effects of particle size and dispersants on sintering activity were systematically investigated. Multiple characterization techniques including Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), and Fourier Transform Infrared Spectroscopy (FTIR) were employed to deeply analyze the sintering mechanism of silver particles. The results show that smaller particle sizes can enhance sintering activity. Secondly, when hydroquinone is used as the reducing agent, the Ag₂O formed during low-temperature sintering undergoes a formation-decomposition process that accelerates neck formation and densification, benefiting the subsequent high-temperature sintering. In addition, with BTA as the dispersant, its nitrogen atoms coordinate with silver particles to form Ag-N coordination bonds, thereby generating a surface film on the silver particles. This film effectively suppresses particle aggregation and can decompose at relatively low temperatures, promoting the early exposure of silver surfaces, which facilitates early sintering neck growth and the formation of a denser sintered network, thereby significantly enhancing the electrical performance of the silver paste.

银浆料广泛应用于半导体金属化工艺，其中银粉在浆料成分中所占比例最高。银粉的形貌和粒度是影响烧结性能的关键因素。因此，本研究分别以抗坏血酸和对苯二酚为还原剂，通过液相还原法制备了不同粒径和表面特征的球形银颗粒。系统地研究了颗粒尺寸和分散剂对烧结活性的影响。采用扫描电镜（SEM）、x射线衍射（XRD）、傅里叶变换红外光谱（FTIR）等多种表征技术对银颗粒的烧结机理进行了深入分析。结果表明，粒径越小，烧结活性越强。其次，当使用对苯二酚作为还原剂时，低温烧结形成的Ag2O经过地层分解过程，加速了颈状的形成和致密化，有利于后续的高温烧结。此外，以BTA为分散剂，其氮原子与银粒子配位形成Ag-N配位键，从而在银粒子上形成表面膜。该膜有效抑制颗粒聚集，在较低温度下分解，促进银表面早期暴露，有利于早期烧结颈生长，形成更致密的烧结网络，从而显著提高银浆的电性能。

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引用次数: 0

Preparation and performance study of novel electrochromic thin films based on 3,4,9,10-perylenetetracarboxylic diimide (PDINH) via spin-coating 基于3,4,9,10-苝四羧基二亚胺（PDINH）的新型电致变色薄膜的制备及性能研究

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-05-01 Epub Date: 2026-01-29 DOI: 10.1016/j.solidstatesciences.2026.108239

Rongkang Yan , Yongkang Tang , Tingting Yao , Chang Liu , Tian Bao , Gang Li

A novel 3,4,9,10-perylenetetracarboxydiimide (PDINH)-based electrochromic thin film was fabricated, and its electrochromic properties were investigated in depth. After successfully preparing the PDINH electrochromic films via spin-coating, the surface micromorphology and structure of the films were comprehensively characterized. Electrochemical measurements and transmittance tests of the PDINH films were conducted using an electrochemical workstation and UV–Vis spectrophotometer, respectively. Experimental results demonstrated that PDINH exhibited remarkable coloration efficiency and versatile color-switching behaviors. Upon applying an external potential ranging from 1 V to −1.5 V, the PDINH film with 5 spin-coating cycles underwent sequential transitions from purple to blue and from blue to brick red. Specifically, the forward response time for the purple-to-blue transition was 1.5 s, with a reverse recovery time of 2.1 s from blue to purple. The corresponding optical modulation amplitude and coloration efficiency were 8.2 % and 13.9 cm²/C, respectively. During the blue-to-brick red transition, the forward and reverse response times were 0.9 s and 1.8 s, accompanied by an optical modulation amplitude of 21.7 % and coloration efficiency of 28.3 cm²/C. Cyclic voltammetry (CV) tests further confirmed the excellent stability of PDINH electrochromic films. This study conducts an in-depth investigation of a novel electrochromic material, providing references and insights for the subsequent research on PDINH-based electrochromic devices.

制备了一种新型的3,4,9,10-苝四羧基二亚胺（PDINH）基电致变色薄膜，并对其电致变色性能进行了深入研究。通过旋涂法制备PDINH电致变色薄膜后，对薄膜的表面微观形貌和结构进行了全面表征。利用电化学工作站和紫外-可见分光光度计分别对PDINH薄膜进行了电化学测量和透射率测试。实验结果表明，PDINH具有显著的显色效率和多种颜色切换行为。当施加1 V至−1.5 V的外部电位时，具有5个旋转涂层循环的PDINH薄膜经历了从紫色到蓝色和从蓝色到砖红色的顺序转变。具体来说，从紫色到蓝色的正向响应时间为1.5 s，从蓝色到紫色的反向恢复时间为2.1 s。相应的光调制幅度和显色效率分别为8.2%和13.9 cm2/C。在蓝-砖红转换过程中，正向和反向响应时间分别为0.9 s和1.8 s，光调制幅度为21.7%，显色效率为28.3 cm2/C。循环伏安（CV）试验进一步证实了PDINH电致变色膜的优良稳定性。本研究对一种新型电致变色材料进行了深入的研究，为后续基于pdinh的电致变色器件的研究提供了参考和见解。

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引用次数: 0

Praseodymium barium ferrites in the PrOx – BaO – ½ Fe2O3 system: phase equilibria, crystal structure and oxygen content PrOx - BaO -½Fe2O3体系中的镨钡铁氧体：相平衡、晶体结构和氧含量

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-05-01 Epub Date: 2026-01-28 DOI: 10.1016/j.solidstatesciences.2026.108238

M.V. Davydova, N.E. Volkova, V.A. Cherepanov

Phase diagram for the PrO_x – BaO – ½ Fe₂O₃ system has been constructed at 1100 °C in air. It was found that barium ferrite forms solid solutions (Ba_1-xPr_x)(Fe_1-kPr_k)O_3-δ with a cubic structure (SG Pm-3m) by simultaneously replacing Ba and Fe in the A and B sublattices with Pr. An increase in the Pr content in A positions narrows the homogeneity range in the B-sublattice. The homogeneity range of the orthorhombic Ba_1-xPr_xFeO_3-δ solid solution on the praseodymium ferrite side is estimated as 0.75 ≤ x ≤ 1.0. Two other complex oxides that form in the system at 1100 °C in air are tetragonal Pr_1.95Ba_1.05Fe₂O_7-δ, belonging to the Ruddlesden-Popper (RP) series with n = 2 (SG P4₂/mnm), and the hexagonal Ba₆Pr_2.1Fe_3.9O₁₅ (SG P6₃mc). The oxygen content in the Ba_1-xPr_xFeO_3-δ solid solutions was measured by TGA.

建立了PrOx - BaO -½Fe2O3体系在1100℃空气中的相图。结果表明，钡铁氧体通过同时用Pr取代a和B亚晶格中的Ba和Fe，形成具有立方结构（SG Pm-3m）的固溶体（Ba1-xPrx）（Fe1-kPrk）O3-δ。a位置Pr含量的增加缩小了B亚晶格中的均匀性范围。铁酸镨侧Ba1-xPrxFeO3-δ正交固溶体的均匀性范围为0.75≤x≤1.0。另外两种在1100℃空气中形成的络合氧化物是Pr1.95Ba1.05Fe2O7-δ，属于Ruddlesden-Popper （RP）系列，n = 2 （SG P42/mnm）和ba6pr2.1 fe3.90 o15 （SG P63mc）。用热重分析仪测定了Ba1-xPrxFeO3-δ固溶体中的氧含量。

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引用次数: 0

Synergistic interface engineering of rare-earth multi-oxide/reduced graphene oxide hierarchical nanostructures as high-performance solid-state asymmetric supercapacitors for energy storage applications 稀土多氧化物/还原氧化石墨烯分层纳米结构作为高性能固态非对称储能超级电容器的协同界面工程

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-05-01 Epub Date: 2026-02-03 DOI: 10.1016/j.solidstatesciences.2026.108241

Syed Khasim , Taymour A. Hamdalla , C.R. Ravikumar , Nawal Alghamdi , Suhair A. Bani-Atta , Adnan Almasoudi , Mansour Alatawi

The pursuit of advanced electrode materials that simultaneously deliver high energy density and long-term cycling stability remains a key challenge in the development of next-generation supercapacitors. In this study, rare-earth multi oxides (REOs) (Ce, La, Sm, Pr, and Y) were integrated with reduced graphene oxide (rGO) to harness the synergistic advantages of multicomponent oxide systems and conductive carbon frameworks. The REO matrix, composed of multiple rare-earth metal oxides, offers a rich supply of redox-active sites and structural robustness, while rGO contributes enhanced electron mobility and increased surface area. A series of REO–rGO composites with varying rGO loadings were synthesized via a hydrothermal method followed by controlled thermal treatment. Structural and morphological characterization confirmed the successful formation of well-defined composite architectures. Among the synthesized samples, the REO composite containing 5 mg of rGO exhibited superior electrochemical performance, achieving a specific capacity of 798 C g⁻¹ at 1 A g⁻¹, excellent rate capability, and 93% capacitance retention after 10,000 cycles. Furthermore, a solid-state asymmetric supercapacitor constructed using REO–5G as the positive electrode and activated carbon (AC) as the negative electrode delivered an energy density of 23 Wh kg⁻¹ at a power density of 3750 W kg⁻¹. These findings highlight the promise of REO–rGO nanocomposites as high-performance, durable, and scalable materials for next-generation energy storage technologies.

追求同时提供高能量密度和长期循环稳定性的先进电极材料仍然是开发下一代超级电容器的关键挑战。在这项研究中，稀土多氧化物（Ce, La, Sm， Pr和Y）与还原氧化石墨烯（rGO）相结合，以利用多组分氧化物体系和导电碳框架的协同优势。REO基体由多种稀土金属氧化物组成，提供了丰富的氧化还原活性位点和结构稳健性，而rGO有助于提高电子迁移率和增加表面积。采用水热法合成了一系列不同氧化石墨烯负荷量的REO-rGO复合材料，并进行了热处理。结构和形态表征证实了良好定义的复合结构的成功形成。在合成的样品中，含有5 mg还原氧化石墨烯的REO复合材料表现出优异的电化学性能，在1 a g−1时比容量为798 C g−1，具有优异的倍率能力，在10,000次循环后电容保持率为93%。此外，以REO-5G为正极，活性炭（AC）为负极构建的固态非对称超级电容器在3750 W kg - 1的功率密度下，能量密度为23 Wh kg - 1。这些发现凸显了REO-rGO纳米复合材料作为下一代储能技术的高性能、耐用和可扩展材料的前景。

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引用次数: 0

Thermal conductivities of amorphous SiO2 films by approach-to-equilibrium molecular dynamics 接近平衡分子动力学研究非晶SiO2薄膜的热导率

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-05-01 Epub Date: 2026-02-11 DOI: 10.1016/j.solidstatesciences.2026.108262

Louis Petit, Cheick O. Diarra, Achille Lambrecht, Ibrahim Bel-Hadj, Mauro Boero, Evelyne Martin

The thermal conductivity of stand-alone amorphous SiO₂ films is calculated both in and cross plane. In both cases, the approach-to-equilibrium molecular dynamics (AEMD) method is employed, showing how the method can be extended to calculate the cross-plane thermal conductivity. The study is conducted within the first-principles molecular dynamics framework. We ascertain that the thermal conductivity in the plane remains unaffected by the presence of free surfaces. Remarkably, even for a thickness of 2 nm, the thermal conductivity is found to be equal to (1.3 ± 0.1) W K⁻¹ m⁻¹, which is in accordance with the measured macroscopic value. With regard to cross-plane thermal conductivity, the value for a film with thickness

d

is equivalent to that obtained by AEMD in the case of a bulk with a periodicity of

2 d

. The cross-plane thermal conductivity is shown to decrease for thicknesses below 3 nm.

计算了独立非晶SiO2薄膜的平面内和平面间导热系数。在这两种情况下，都采用了接近平衡分子动力学（AEMD）方法，表明该方法可以扩展到计算跨平面导热系数。这项研究是在第一性原理分子动力学框架内进行的。我们确定平面内的热导率不受自由表面存在的影响。值得注意的是，即使厚度为2 nm，热导率也等于（1.3±0.1）W K−1 m−1，这与测量的宏观值一致。关于跨平面导热系数，厚度为d的薄膜的值与周期为2d的体的AEMD计算值相等。当厚度低于3nm时，交叉平面导热系数下降。

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引用次数: 0

Introductory remarks - materials design in the age of machine learning: Achievements and opportunities 导言-机器学习时代的材料设计：成就与机遇

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-05-01 Epub Date: 2026-01-31 DOI: 10.1016/j.solidstatesciences.2026.108236

Erich Wimmer

The current Special Issue provides an excellent snapshot of the impressive computational capabilities to simulate, understand, and predict the properties of a range of different materials including phase change materials, glasses, battery materials, and high-entropy alloys, addressing phenomena such as electronic excitations, nucleation, and irradiation effects. The present introductory remarks are putting these achievements in the perspective of the overall development of the field of computational materials science, highlighting the key accomplishments, and also identifying the current limitations, thus showing opportunities for further research and progress.

当前的特刊提供了令人印象深刻的计算能力的优秀快照，以模拟，理解和预测一系列不同材料的性质，包括相变材料，玻璃，电池材料和高熵合金，解决电子激发，成核和辐照效应等现象。本导言将这些成就放在计算材料科学领域整体发展的角度，突出了主要成就，并指出了当前的局限性，从而显示了进一步研究和进步的机会。

引用次数: 0

Influence of calcium substitution on scintillation and photoluminescence properties of organic-inorganic perovskite-type chlorides with a phenethylamine 钙取代对苯乙胺类有机-无机钙钛矿型氯化物闪烁和光致发光性能的影响

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-04-01 Epub Date: 2026-01-12 DOI: 10.1016/j.solidstatesciences.2026.108230

Keishi Yamabayashi , Itsuki Wakabayashi , Hiromi Kimura , Daisuke Nakauchi , Naoki Kawano , Takumi Kato , Noriaki Kawaguchi , Takayuki Yanagida

Organic-inorganic perovskite-type chlorides of Ca-substituted PEA₂PbCl₄ (PEA₂Pb_1-xCa_xCl₄, x = 0.01, 0.05, and 0.1) were synthesized by the solvent diffusion method, and their photoluminescence (PL) and scintillation properties were evaluated. PEA₂Pb_1-xCa_xCl₄ showed emission peaks at 500–700 nm upon excitation at 280–375 nm. In the PL decay measurement, decay time constants of 4–7 ns, attributed to the recombination of self-trapped excitons were obtained. Among the obtained samples, PEA₂Pb_0.95Ca_0.05Cl₄ showed highest PL quantum yield (5.3 %) and scintillation light yield (2500 ph/MeV). These results indicate that the Ca substitution improves the PL and scintillation properties of PEA₂PbCl₄.

采用溶剂扩散法合成了钙取代PEA2PbCl4的有机-无机钙钛矿型氯化物（PEA2Pb1-xCaxCl4, x = 0.01, 0.05, 0.1），并对其光致发光（PL）和闪烁性能进行了评价。PEA2Pb1-xCaxCl4在280 ~ 375 nm激发时，在500 ~ 700 nm处出现发射峰。在PL衰减测量中，得到了4-7 ns的衰减时间常数，这是由于自捕获激子的复合引起的。所得样品中，PEA2Pb0.95Ca0.05Cl4具有最高的PL量子产率（5.3%）和闪烁光产率（2500 ph/MeV）。这些结果表明，Ca取代提高了PEA2PbCl4的发光和闪烁性能。

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引用次数: 0

Reinvestigation of Na2SO4⋅H3NSO3⋅2H2O, a member of the sulfate – sulfamic acid co-crystal family: crystal structure, topological features, thermal and luminescent properties 硫酸盐-氨基磺酸共晶家族成员Na2SO4⋅H3NSO3⋅2H2O的晶体结构、拓扑特征、热发光性能研究

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-04-01 Epub Date: 2025-12-29 DOI: 10.1016/j.solidstatesciences.2025.108200

D.O. Charkin , D.S. Degterev , D.V. Deyneko , V.E. Kireev , Yu.A. Vaitieva , V. Yu Grishaev , A.A. Kompanchenko , A.N. Gosteva , A.M. Banaru , S.M. Aksenov

Single crystals of a new sulfamic acid co-crystal, Na₂SO₄⋅H₃NSO₃⋅2H₂O (1), were obtained from an aqueous solution. The new compound was characterized by single-crystal X-ray structural analysis, IR, Raman, and luminescence spectroscopy, and thermal analysis. In contrast to sulfate – sulfamic acid co-crystals of the heavier alkalis (K and Cs), the new compound adopts a pseudo-orthorhombic centrosymmetric structure, space group P2₁/c. The complex framework is comprised of NaO_n (n = 6–7), SO₄, and SO₃N polyhedra sharing vertices and edges and additionally linked by hydrogen bonds. Upon heating, Na₂SO₄⋅H₃NSO₃⋅2H₂O undergoes several chemical transformations between 150 and 200 °C before the start of mass loss due to evolution of gaseous products. The crystal chemical peculiarities of hydrogen-bonded co-crystals of inorganic salts and acids are discussed.

在水溶液中得到了新型氨基磺酸共晶Na2SO4⋅H3NSO3⋅2H2O(1)的单晶。通过单晶x射线结构分析、红外光谱、拉曼光谱和发光光谱以及热分析对新化合物进行了表征。与较重碱（K和Cs）的硫酸盐-氨基磺酸共晶相比，新化合物采用伪正交中心对称结构，空间群P21/c。该复杂框架由NaOn （n = 6-7）、SO4和SO3N多面体组成，它们共享顶点和边缘，并通过氢键连接。加热后，Na2SO4⋅H3NSO3⋅2H2O在150 ~ 200℃之间发生多次化学转变，然后由于气态产物的演化而开始质量损失。讨论了无机盐和酸的氢键共晶的晶体化学特性。

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引用次数: 0

Selenium rich AgSbSxSe2-x thin films using laser fragmented selenium nanocolloids for photovoltaic and self-powered photodiode applications 利用激光破碎硒纳米胶体制备富硒AgSbSxSe2-x薄膜，用于光伏和自供电光电二极管

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-04-01 Epub Date: 2026-01-06 DOI: 10.1016/j.solidstatesciences.2026.108220

Aiswarya Nadukkandy , Katia del Carmen Martínez Guzmán , Sadasivan Shaji , David Avellaneda Avellaneda , Josue Amilcar Aguilar-Martínez , Bindu Krishnan

The present work focuses on synthesis of selenium (Se) rich AgSbS_xSe_2-x solid solution thin films by incorporating laser irradiated Se nanoparticles into Sb₂S₃-Ag precursors and their application in solar cells and self-powered photodiodes. Se rich AgSbS_xSe_2-x thin films were formed by the partial substitution of sulfur with selenium during thermally induced solid state reaction of precursor layers (Sb₂S₃-Ag-Se). The bandgap values and electrical properties of AgSbS_xSe_2-x thin films are tunable by changing the S to Se ratio. The best solar cell efficiency of 2.5 % was obtained for solar cell based AgSbS_0.66Se_1.34 absorber and CdS window layer. In addition, the self-powered photodiodes based on CdS/AgSbS_0.66Se_1.34 heterojunction are investigated showing a good detection sensitivity in a wide range of wavelengths (UV–Vis–NIR) without any power consumption. The fabricated self-powered photodetector showed a wide spectral range of detection (405–1064 nm) with good photodetector parameters of sensitivity and responsivity. The highest responsivity value of 1.40 × 10⁻³ (mAW)⁻¹ and detectivity of 5.90 × 10⁹ Jones was obtained under the illumination of 532 nm laser, with 785 nm laser we obtained a responsivity of 0.63 × 10⁻³ (mAW)⁻¹ and detectivity of 2 × 10⁹ Jones. These results strongly imply that the CdS/AgSbS_0.66Se_1.34 photodetector with good environmental stability has great potential to use in wireless or remote sensing without any power consumption.

本文主要研究了在Sb2S3-Ag前驱体中加入激光照射的硒纳米粒子，合成富硒（Se） AgSbSxSe2-x固溶体薄膜及其在太阳能电池和自供电光电二极管中的应用。在前驱体层（Sb2S3-Ag-Se）的热诱导固相反应中，硒部分取代硫，形成了富硒的AgSbSxSe2-x薄膜。通过改变S - Se比，可以调节AgSbSxSe2-x薄膜的带隙值和电学性能。基于AgSbS0.66Se1.34吸收层和CdS窗口层的太阳能电池效率最高，为2.5%。此外，研究了基于CdS/AgSbS0.66Se1.34异质结的自供电光电二极管，在紫外-可见-近红外（uv -可见光-近红外）宽波长范围内具有良好的检测灵敏度，且不消耗任何功耗。所制备的自供电光电探测器具有较宽的探测光谱范围（405 ~ 1064 nm），具有良好的灵敏度和响应性参数。在532 nm激光照射下，获得了最高的响应率1.40 × 10−3 (mAW)−1，探测率5.90 × 109 Jones；在785 nm激光照射下，获得了0.63 × 10−3 (mAW)−1，探测率2 × 109 Jones。这些结果强烈地暗示了具有良好环境稳定性的CdS/AgSbS0.66Se1.34光电探测器在不消耗任何功耗的情况下在无线或遥感领域具有很大的应用潜力。

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引用次数: 0

Unveiling the functional potential of Cr2MnAl Heusler alloy: A combined experimental and theoretical approach 揭示Cr2MnAl Heusler合金的功能潜力：实验与理论相结合的方法

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences

Pub Date : 2026-04-01 Epub Date: 2026-01-15 DOI: 10.1016/j.solidstatesciences.2025.108205

G. Karthik , Shanmugasundaram Kamalakannan , K. Ravichandran , Sathish Panneer Selvam , Agalya Mathivanan , V.S.K. Venkatachalapathy , T.R. Naveen kumar

In this study, a Cr₂MnAl Heusler alloy was successfully synthesized via a solid-state method, and its structure was analyzed using X-ray diffraction, confirming the formation of the XA crystal structure without any secondary phases. X-ray photoelectron spectroscopy (XPS) confirmed the oxidation states of Cr, Mn, and Al, and morphological analysis revealed well-defined grain sizes. Magnetic measurements indicated paramagnetic behavior at room temperature, which transitioned to ferrimagnetic behavior at lower temperatures. Furthermore, the alloy exhibits semiconductor-like behavior, as confirmed by resistivity measurements. Hall Effect studies have highlighted the enhanced behavior attributed to the strong interfacial spin-orbit coupling at low temperatures. In addition, first-principles calculations based on density functional theory were performed, revealing intriguing phenomena, with the XA material displaying ferrimagnetic behavior characterized by negative spin polarization, in contrast to the antiferromagnetic tendencies observed in the L2₁ structure. The efficient dielectric function and absorption characteristics of these compounds suggest that they can also be employed in electromagnetic radiation-assisted energy and sensing applications. Annealing dynamic simulations revealed the thermal stability of the fabricated compounds at temperatures of up to 1000 K. We believe that our results could be useful for the development of spintronic devices, solar cells and photovoltaic cells.

本研究通过固相法成功合成了一种Cr2MnAl Heusler合金，并利用x射线衍射对其结构进行了分析，证实形成了无二次相的XA晶体结构。x射线光电子能谱（XPS）证实了Cr， Mn和Al的氧化态，形态分析显示了明确的晶粒尺寸。磁性测量表明室温下的顺磁性，在较低温度下转变为铁磁性。此外，通过电阻率测量证实，该合金表现出类似半导体的行为。霍尔效应研究强调了低温下强界面自旋轨道耦合的增强行为。此外，基于密度泛函理论进行了第一性原理计算，揭示了有趣的现象，与L21结构中观察到的反铁磁倾向相比，XA材料表现出以负自旋极化为特征的铁磁行为。这些化合物的有效介电功能和吸收特性表明它们也可以用于电磁辐射辅助能量和传感应用。退火动态模拟表明，制备的化合物在高达1000 K的温度下具有热稳定性。我们相信我们的结果对自旋电子器件、太阳能电池和光伏电池的发展是有用的。

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引用次数: 0