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

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

{"title":"Preparation and sintering behavior of micron-sized spherical silver particles modified by benzotriazole: Enhanced activity via Ag-N coordination","authors":"Cheng Tang , Zhen Wang , Shunli Yu , Menghao Wang , Haiping Yu , Shenghua Ma","doi":"10.1016/j.solidstatesciences.2026.108258","DOIUrl":"10.1016/j.solidstatesciences.2026.108258","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"175 ","pages":"Article 108258"},"PeriodicalIF":3.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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

{"title":"Preparation and performance study of novel electrochromic thin films based on 3,4,9,10-perylenetetracarboxylic diimide (PDINH) via spin-coating","authors":"Rongkang Yan , Yongkang Tang , Tingting Yao , Chang Liu , Tian Bao , Gang Li","doi":"10.1016/j.solidstatesciences.2026.108239","DOIUrl":"10.1016/j.solidstatesciences.2026.108239","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"175 ","pages":"Article 108239"},"PeriodicalIF":3.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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

{"title":"Praseodymium barium ferrites in the PrOx – BaO – ½ Fe2O3 system: phase equilibria, crystal structure and oxygen content","authors":"M.V. Davydova, N.E. Volkova, V.A. Cherepanov","doi":"10.1016/j.solidstatesciences.2026.108238","DOIUrl":"10.1016/j.solidstatesciences.2026.108238","url":null,"abstract":"<div><div>Phase diagram for the PrOx – BaO – ½ Fe2O3 system has been constructed at 1100 °C in air. It was found that barium ferrite forms solid solutions (Ba1-xPrx)(Fe1-kPrk)O3-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 Ba1-xPrxFeO3-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 Pr1.95Ba1.05Fe2O7-δ, belonging to the Ruddlesden-Popper (RP) series with n = 2 (SG P42/mnm), and the hexagonal Ba6Pr2.1Fe3.9O15 (SG P63mc). The oxygen content in the Ba1-xPrxFeO3-δ solid solutions was measured by TGA.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"175 ","pages":"Article 108238"},"PeriodicalIF":3.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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

{"title":"Synergistic interface engineering of rare-earth multi-oxide/reduced graphene oxide hierarchical nanostructures as high-performance solid-state asymmetric supercapacitors for energy storage applications","authors":"Syed Khasim , Taymour A. Hamdalla , C.R. Ravikumar , Nawal Alghamdi , Suhair A. Bani-Atta , Adnan Almasoudi , Mansour Alatawi","doi":"10.1016/j.solidstatesciences.2026.108241","DOIUrl":"10.1016/j.solidstatesciences.2026.108241","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"175 ","pages":"Article 108241"},"PeriodicalIF":3.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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

{"title":"Thermal conductivities of amorphous SiO2 films by approach-to-equilibrium molecular dynamics","authors":"Louis Petit, Cheick O. Diarra, Achille Lambrecht, Ibrahim Bel-Hadj, Mauro Boero, Evelyne Martin","doi":"10.1016/j.solidstatesciences.2026.108262","DOIUrl":"10.1016/j.solidstatesciences.2026.108262","url":null,"abstract":"<div><div>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 <math><mi>d</mi></math> is equivalent to that obtained by AEMD in the case of a bulk with a periodicity of <math><mrow><mn>2</mn><mi>d</mi></mrow></math>. The cross-plane thermal conductivity is shown to decrease for thicknesses below 3 nm.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"175 ","pages":"Article 108262"},"PeriodicalIF":3.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186361","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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

Erich Wimmer

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

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

{"title":"Influence of calcium substitution on scintillation and photoluminescence properties of organic-inorganic perovskite-type chlorides with a phenethylamine","authors":"Keishi Yamabayashi , Itsuki Wakabayashi , Hiromi Kimura , Daisuke Nakauchi , Naoki Kawano , Takumi Kato , Noriaki Kawaguchi , Takayuki Yanagida","doi":"10.1016/j.solidstatesciences.2026.108230","DOIUrl":"10.1016/j.solidstatesciences.2026.108230","url":null,"abstract":"<div><div>Organic-inorganic perovskite-type chlorides of Ca-substituted PEA2PbCl4 (PEA2Pb1-xCaxCl4, x = 0.01, 0.05, and 0.1) were synthesized by the solvent diffusion method, and their photoluminescence (PL) and scintillation properties were evaluated. PEA2Pb1-xCaxCl4 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, PEA2Pb0.95Ca0.05Cl4 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.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"174 ","pages":"Article 108230"},"PeriodicalIF":3.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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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

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

{"title":"Reinvestigation of Na2SO4⋅H3NSO3⋅2H2O, a member of the sulfate – sulfamic acid co-crystal family: crystal structure, topological features, thermal and luminescent properties","authors":"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","doi":"10.1016/j.solidstatesciences.2025.108200","DOIUrl":"10.1016/j.solidstatesciences.2025.108200","url":null,"abstract":"<div><div>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 NaOn (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.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"174 ","pages":"Article 108200"},"PeriodicalIF":3.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145883760","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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

{"title":"Selenium rich AgSbSxSe2-x thin films using laser fragmented selenium nanocolloids for photovoltaic and self-powered photodiode applications","authors":"Aiswarya Nadukkandy , Katia del Carmen Martínez Guzmán , Sadasivan Shaji , David Avellaneda Avellaneda , Josue Amilcar Aguilar-Martínez , Bindu Krishnan","doi":"10.1016/j.solidstatesciences.2026.108220","DOIUrl":"10.1016/j.solidstatesciences.2026.108220","url":null,"abstract":"<div><div>The present work focuses on synthesis of selenium (Se) rich AgSbSxSe2-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 AgSbSxSe2-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 AgSbSxSe2-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 AgSbS0.66Se1.34 absorber and CdS window layer. In addition, the self-powered photodiodes based on CdS/AgSbS0.66Se1.34 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/AgSbS0.66Se1.34 photodetector with good environmental stability has great potential to use in wireless or remote sensing without any power consumption.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"174 ","pages":"Article 108220"},"PeriodicalIF":3.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145923425","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

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

{"title":"Unveiling the functional potential of Cr2MnAl Heusler alloy: A combined experimental and theoretical approach","authors":"G. Karthik , Shanmugasundaram Kamalakannan , K. Ravichandran , Sathish Panneer Selvam , Agalya Mathivanan , V.S.K. Venkatachalapathy , T.R. Naveen kumar","doi":"10.1016/j.solidstatesciences.2025.108205","DOIUrl":"10.1016/j.solidstatesciences.2025.108205","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"174 ","pages":"Article 108205"},"PeriodicalIF":3.3,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0