Acta Materialia最新文献

{"title":"Energetics of high pressure monoclinic Y2O3 and Er2O3 from experiment and computation","authors":"I.D. Matyushov ,&nbsp;B.G. Aberra ,&nbsp;G.A. Agbanga ,&nbsp;L.J. Leinbach ,&nbsp;K.D. Leinenweber ,&nbsp;B.L. Brugman ,&nbsp;S.V. Ushakov ,&nbsp;Q.-J. Hong ,&nbsp;A. Navrotsky","doi":"10.1016/j.actamat.2025.120910","DOIUrl":"10.1016/j.actamat.2025.120910","url":null,"abstract":"<div><div>Many rare earth sesquioxides (RE₂O₃) undergo a series of structural transitions at high temperature and pressure. The high pressure phases are metastable at ambient conditions and exhibit different physical properties from their corresponding low pressure phases, making them candidates for new technological applications. Despite this potential, there is little experimental data available on the energetics of the high <em>P</em> – <em>T</em> forms of these materials, which is necessary to understand their stability. We used high <em>P</em> – <em>T</em> conditions to drive the C → B transition in Y₂O₃ and Er₂O₃, conducted first principles calculations, and used high temperature oxide melt solution and scanning calorimetry to explore the fundamental energetics of the transformation reactions in both materials. The reaction enthalpy of the cubic C-type → monoclinic B-type transformation from oxide melt solution calorimetry is 15.57 ± 4.50 kJ/mol for Y₂O₃ and 15.89 ± 4.00 kJ/mol for Er₂O₃. These values are similar to those predicted by density functional theory for both materials and to the transition enthalpy for Er₂O₃ determined by differential scanning calorimetry. For Y₂O₃, calorimetry with complementary in situ high temperature X-ray diffraction measurements indicate a sluggish reversal to the low pressure phase over an 873 K temperature interval when heated, suggesting that kinetics control the decomposition process. Ultimately both Y₂O₃ and Er₂O₃ revert to the cubic phase when heated to 623 – 723 K. This work provides experimental data on the energetics of the transformation from cubic to monoclinic Y₂O₃ and Er₂O₃. Similar data on other rare earth oxides and higher pressure phases of all RE₂O₃ are needed so that comprehensive stability models can be developed and implemented to support new applications.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120910"},"PeriodicalIF":8.3,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring grain-resolved strain tensors and non-uniform lattice deformations with Laue 3DNDT","authors":"Camilla B. Larsen ,&nbsp;Stavros Samothrakitis ,&nbsp;Robin Woracek ,&nbsp;Efthymios Polatidis ,&nbsp;Jan Čapek ,&nbsp;Manas V. Upadhyay ,&nbsp;Michael Tovar ,&nbsp;Søren Schmidt ,&nbsp;Markus Strobl","doi":"10.1016/j.actamat.2025.120869","DOIUrl":"10.1016/j.actamat.2025.120869","url":null,"abstract":"<div><div>Oligocrystalline and polycrystalline materials often display intricate grain-resolved deformation behaviours due to grain interactions, size effects, defects, and crystalline anisotropy. Gaining a deep understanding of grain deformation mechanics is essential for optimising the performance of materials in engineering and other applications. This necessitates the development of advanced experimental and theoretical tools to accurately capture and analyse these complex behaviours. Here, Laue three-dimensional neutron diffraction tomography is introduced as a high-throughput, non-destructive method to characterise grain-resolved strain and orientation changes in an oligocrystalline Co-Ni-Ga ferromagnetic shape-memory alloy during compressive deformation. Grain-resolved strain tensors were determined for 7 out of the total 11 grains indexed with a strain resolution of approximately 10⁻³, over an applied strain range of 0%<!--> <!-->–<!--> <!-->2%. These results were obtained across various stress steps in situ, enabling direct comparisons with single-crystal models and elasto-viscoplastic Fast Fourier Transform simulations. The study demonstrates how accurate modelling of deformation behaviour, even in the elastic regime, requires detailed knowledge of the sample microstructure. Furthermore, the results reveal non-uniform deformation mechanics within individual grains, emphasising the value of Laue 3DNDT in understanding meso-scale material behaviour.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120869"},"PeriodicalIF":8.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing elemental phase-change chalcogenide glass through tailored alloying","authors":"Qundao Xu ,&nbsp;Meng Xu ,&nbsp;Rongchuan Gu ,&nbsp;Siqi Tang ,&nbsp;Shaojie Yuan ,&nbsp;Songyou Wang ,&nbsp;Zhongrui Wang ,&nbsp;Cai-Zhuang Wang ,&nbsp;Xiangshui Miao ,&nbsp;Riccardo Mazzarello ,&nbsp;Ming Xu","doi":"10.1016/j.actamat.2025.120896","DOIUrl":"10.1016/j.actamat.2025.120896","url":null,"abstract":"<div><div>Phase-change memory is vital in the contemporary nonvolatile memory due to its exceptional storage density and swift read/write speed. Yet, the evolution of artificial intelligence (AI) technology imposes stricter performance demands, necessitating the development of phase-change materials (PCMs) with tailored properties. While doping strategies are commonly employed to devise new PCMs, engineers often resort to the costly \"trial-and-error\" methodology due to the lack of a comprehensive understanding of how different doping elements influence material properties. Through multi-scale molecular dynamics calculations, this study systematically investigates the alloying mechanisms of various elements with antimony (Sb), thereby advancing the methodological framework for PCM design. Analysis of the amorphous structure, bonding nature, and dynamics of binary Sb-based alloys reveals three categories of dopants: tetrahedral (e.g., Al, Zn, Ga), octahedral (e.g., Cd, In, Sn), and compact polyhedral (e.g., Sc, Ti, Y, Zr). Different dopant groups show unique influences on PCMs: octahedral dopants facilitate faster crystallization kinetics, polyhedral dopants contribute to improved thermal stability, and tetrahedral dopants strike a balance performance. Based on these findings, we predict and evaluate the potential of four new candidate materials for memory applications. Altogether, our research not only deepens the understanding of Sb-based PCMs but also lays the foundation for innovative material design paradigms.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120896"},"PeriodicalIF":8.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase transformations induced by thermo hydrogen treatment in Ti-15 at.% Fe and Ti-15 at.% Cr alloys","authors":"Qian Wang ,&nbsp;Hanbo Weng ,&nbsp;Tong Zhang ,&nbsp;Sensen Huang ,&nbsp;Min Qi ,&nbsp;Yingjie Ma ,&nbsp;Christophe Schuman ,&nbsp;Jean-Sébastien Lecomte ,&nbsp;Daokui Xu ,&nbsp;Jiafeng Lei ,&nbsp;Rui Yang","doi":"10.1016/j.actamat.2025.120906","DOIUrl":"10.1016/j.actamat.2025.120906","url":null,"abstract":"<div><div>Hydrogen charging at 1000 °C to two β-Ti alloys, Ti-15 at.% Fe and Ti-15 at.% Cr, was found to induce the precipitation of B2 TiFe and C15 TiCr₂, respectively. For Ti-15 at.% Fe, the β/TiFe orientation relationship (OR) is Cube-Cube type. At 14 at.% H (nominal), an FCC layer containing {111} twins, having identical composition to the β phase and Baker-Nutting OR with TiFe, formed at β/TiFe interface upon water quenching (WQ). At 28 at.% H, WQ produces α′ martensite and athermal ω instead of the FCC layer at the interface. For TiCr₂ precipitates in Ti-15 at.% Cr, at 16 at.% H, there exist two dominant β/TiCr₂ ORs, leading to three types of twin pairs in TiCr₂. The β/TiCr₂ interface as well as the twin boundaries are decorated by TiCr₂ stacking faults. At 28 at.% H, the ORs evolve to Kurdjumov-Sachs type, and an FCC layer with internal twins was observed at the β/TiCr₂ interface. The diffusionless formation of the FCC layers in the two alloys as well as the occurrence of twinning effectively relieved the large strains at β/TiFe and β/TiCr₂ interface. An analysis based on displacement gradient tensor has been conducted, and the results provide effective means for understanding the twin variant selection and strain relieving mechanism.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120906"},"PeriodicalIF":8.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"On the grain size dependence of competing deformation mechanisms in a CrCoNi medium entropy alloy","authors":"Li Zhu ,&nbsp;Guangya Li ,&nbsp;Weixia Dong ,&nbsp;Jianyang Zhang ,&nbsp;Yuemin Ma ,&nbsp;Haiyan He ,&nbsp;Si Lan ,&nbsp;Zhenduo Wu ,&nbsp;Xiaohu Li ,&nbsp;Tao Yang ,&nbsp;Xun-Li Wang","doi":"10.1016/j.actamat.2025.120907","DOIUrl":"10.1016/j.actamat.2025.120907","url":null,"abstract":"<div><div>Grain refinement is an effective approach to tailoring the deformation mechanism and thus the mechanical properties of a material. In this study, the deformation behaviors of the CrCoNi medium entropy alloy with different grain sizes were investigated by in-situ neutron diffraction and transmission electron microscopy observations. For the coarse-grained CrCoNi alloy, the initial plastic deformation was driven by dislocation slip, while stacking faults and twinning became activated at a later stage. The critical stress for stacking faults in coarse-grained samples exhibited a weaker grain size sensitivity than that of dislocation slip. As a result, below a grain size threshold, the critical stress needed to trigger the dislocation slip caught up with that of stacking faults. It was shown that for CrCoNi, when the grain size was below ∼1.5 μm, all the three deformation modes, namely, dislocation slip, stacking faults, and twinning, were activated simultaneously, which resulted in a grain-size dependence deviating from the Hall-Petch relationship due to the extra strengthening at yielding. The contributions from dislocations and planar faults to the work hardening were quantified, which revealed a dominant role of dislocations in the hardening behaviors of the CrCoNi alloy. However, the relative magnitude of these contributions changed as the grain size was reduced, with the contribution from planar faults, especially the stacking faults, becoming increasingly significant.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120907"},"PeriodicalIF":8.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560850","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of alloying elements on the hydrogen behaviors of FCC Co-free concentrated solid solution alloys","authors":"Xudong An ,&nbsp;Eryang Lu ,&nbsp;Qianqian Wang ,&nbsp;Xiaoyu Gui ,&nbsp;Qigui Yang ,&nbsp;Te Zhu ,&nbsp;Xingzhong Cao ,&nbsp;Peng Zhang ,&nbsp;Huiqiu Deng ,&nbsp;Wangyu Hu ,&nbsp;Tengfei Yang","doi":"10.1016/j.actamat.2025.120879","DOIUrl":"10.1016/j.actamat.2025.120879","url":null,"abstract":"<div><div>This study investigated hydrogen behaviors in two cobalt-free concentrated solid solution alloys (CSAs) Fe₅₀Mn₂₅Ni₁₀Cr₁₅ and Ni_57.6Cr_19.2Fe_19.2Nb₄ combining experiments and theoretical methods. We aimed to reveal and elucidate the influencing mechanisms of alloying elements on the hydrogen behaviors of CSAs. After deuterium charging, Ni_57.6Cr_19.2Fe_19.2Nb₄ exhibits higher concentration of deuterium and vacancies than Fe₅₀Mn₂₅Ni₁₀Cr₁₅. Density function theory calculations reveal that Ni_57.6Cr_19.2Fe_19.2Nb₄ has lower dissolution energies, which is attributed to the opposite effects of Fe and Ni on hydrogen solubility and severe lattice distortion primarily induced by Nb. The Ni_57.6Cr_19.2Fe_19.2Nb₄ alloys have higher hydrogen binding energy and jump barriers, which enhance hydrogen stability. Furthermore, the precipitates enriched with Nb formed during deformation can block the movements of dislocations and hydrogen, which strengthen the materials and retard the formation and propagation of cracks. Our study highlights the important role of the Nb enriched precipitates for the resistances to hydrogen embrittlement, whose formation is induced by the synergetic effects of hydrogen and deformation. The experimental observations are well explained by theoretical modeling and provide valuable insights for developing CSAs with enhanced resistance to hydrogen embrittlement.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120879"},"PeriodicalIF":8.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143538975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of magnetism on the interfacial structure, phase stability and thermal decomposition of (Ti,Al)N/CrN multilayers: Ab initio and experimental study","authors":"Jie Zhang ,&nbsp;Chun Hu ,&nbsp;Li Chen ,&nbsp;Yi Kong ,&nbsp;She Q. Wang ,&nbsp;Paul H. Mayrhofer","doi":"10.1016/j.actamat.2025.120897","DOIUrl":"10.1016/j.actamat.2025.120897","url":null,"abstract":"<div><div>By virtue of its outstanding structural and thermal stability, the (Ti,Al)N/CrN multilayer has attracted widespread attention over recent decades. However, the temperature-sensitive magnetic arrangement within the CrN layer challenges the research on the intrinsic mechanism of performance enhancement, where a paramagnetic-to-antiferromagnetic transformation occurs below Néel temperature of 280 K. Here, we systematically studied the effect of magnetic ordering on interfacial and phase stability as well as the thermal decomposition behavior of (Ti,Al)N/CrN multilayer combining experimental and theoretical approaches. The synthesized (Ti,Al)N/CrN multilayer exhibits a face-centered cubic structure with well-defined coherent interfaces. <em>Ab initio</em> calculations confirm that the coherent epitaxial growth between (Ti,Al)N and TMN (TM = Ti, Zr, and Cr) depends on the layer-to-layer lattice mismatch and the Al content within the (Ti,Al)N layer. Compared to antiferromagnetic feature, the ferromagnetic one in CrN enhances the coherent interface stability and interface bond strength, but has little influence of the cubic phase stability. Moreover, annealing treatment promotes the interface-directed spinodal decomposition of (Ti,Al)N/CrN due to ferromagnetic configuration, which reduces the activation energy of Al nearby interfaces along the preferred diffusion towards the interior of the (Ti,Al)N layers. Thereby, the (Ti,Al)N layer forms lamellar Al-rich/Ti-rich/Al-rich regions. As temperature increases to 1000 °C, Cr crosses the fcc-AlN-rich lamella towards the inner fcc-TiN-rich lamella of the original (Ti,Al)N layer, which brings about the collapse of the lamellar structure.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120897"},"PeriodicalIF":8.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143538974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metastable AlB2 structured TM-Si-B2±z (TM = Ti, Zr, Hf) solid solutions from first-principles","authors":"C. Gutschka ,&nbsp;L. Zauner ,&nbsp;T. Glechner ,&nbsp;D. Holec ,&nbsp;H. Riedl","doi":"10.1016/j.actamat.2025.120857","DOIUrl":"10.1016/j.actamat.2025.120857","url":null,"abstract":"<div><div>AlB₂ structured transition metal diborides are a class of refractory ceramics standing out through their high-temperature stability and exceptional mechanical properties, encouraging research on their bulk and thin film forms. In Physical Vapor Deposition (PVD), scientific interest has focused on growing metastable solid solutions with Si to enhance oxidative properties and fracture characteristics. However, theoretical investigations of such ternary compounds are still rare. Therefore, this study explores the structural, energetical, and mechanical properties of the Ti-Si-B₂, Zr-Si-B₂, and Hf-Si-B₂ structures, as well as their vacancy dynamics, with the help of Density Functional Theory (DFT). For all three systems, silicon prefers the boron sublattice and via structural analysis, metastable solubility limits of 24 at. %, 27 at. %, and 25 at. % of Si in Ti(Si,B)₂, Zr(Si,B)₂, and Hf(Si,B)₂, could be established, respectively. An analysis of simulated XRD patterns, Radial Distribution Functions (RDFs), and Crystal Orbital Hamilton Populations (COHPs), attributed an observed destabilization of the AlB₂-type symmetry to Si clustering. Simulated elastic properties revealed a decrease of the Young’s moduli with increasing silicon contents, reproducing experimental values up to 15 at. % Si. The study discovered a structural instability of ternary, metastable AlB₂-type compounds concerning metal vacancies.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120857"},"PeriodicalIF":8.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143546561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Greatly enhanced electrical resistivity in La3Ta0.5Ga5.3Al0.2O14 high temperature piezoelectric crystal through microscopic defect engineering","authors":"Dongjie Liu ,&nbsp;Linyu Bai ,&nbsp;Xiulan Duan ,&nbsp;Yanlu Li ,&nbsp;Xian Zhao ,&nbsp;Shujun Zhang ,&nbsp;Fapeng Yu","doi":"10.1016/j.actamat.2025.120867","DOIUrl":"10.1016/j.actamat.2025.120867","url":null,"abstract":"<div><div>Enhancing the electrical resistivity of piezoelectric crystals is essential for improving the sensing capability of high temperature piezoelectric sensors, especially at low frequency range. In this work, we investigated the conduction mechanism of the La₃Ta_0.5Ga_5.3Al_0.2O₁₄ (LTGA) crystal and elucidated the role of intrinsic defects in electrical resistivity. Our findings indicate that the conductive behaviors are closely related to the point defects, such as oxygen vacancy and Al_Ta antisite defects, in LTGA crystal. The dominant Al_Ta antisite defects facilitate carrier migration, and make hole carrier emission easier due to the small lattice distortion among the Al_Ta antisite defects with different valence states. In contrast, electrons are less likely to be trapped, preventing the formation of electron-hole complex centers, thereby increasing hole concentration and electrical conductivity. Interestingly, the oxygen vacancy concentration can modulate the formation energy of Al_Ta antisite defects, thus influencing electrical resistivity. A higher concentration of oxygen vacancy results in fewer Al_Ta antisite defects, thus the higher electrical resistivity. By inhibiting the formation of Al_Ta antisite defects through crystal growth in a low-oxygen atmosphere, we successfully obtained high quality LTGA crystal with two-order of magnitude increase in electrical resistivity.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120867"},"PeriodicalIF":8.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143539213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetic transparent conductors for spintronic applications","authors":"Pino D’Amico ,&nbsp;Alessandra Catellani ,&nbsp;Alice Ruini ,&nbsp;Stefano Curtarolo ,&nbsp;Marco Fornari ,&nbsp;Marco Buongiorno Nardelli ,&nbsp;Arrigo Calzolari","doi":"10.1016/j.actamat.2025.120850","DOIUrl":"10.1016/j.actamat.2025.120850","url":null,"abstract":"<div><div>Transparent Conductors (TCs) exhibit optical transparency and electron conductivity, and are essential for many opto-electronic and photo-voltaic devices. The most common TCs are electron-doped oxides, which are limited in the choice of possible dopants, as transitions metals most often are not suitable, in view of their tendency to form strong bond with oxygen. Non-oxides TCs have the potential of extending the class of materials to the magnetic realm, bypass technological bottlenecks, and bring TCs to the field of spintronics. Here we propose new functional materials that combine transparency and conductivity with magnetic spin polarization that can be used for spintronic applications, such as spin filters. By using high-throughput first-principles techniques, we identified a large number of potential TCs, including non-oxides materials. Our results indicate that proper doping with transition metals introduces a finite magnetization that can provide spin filtering up to 90% in the electrical conductivity, still maintaining a transparency greater than 90%.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"289 ","pages":"Article 120850"},"PeriodicalIF":8.3,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143532816","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}