Jiangfan Luo , Xiaoqing Bao , Yanbin Zhou , Qiwei Tong , Zhuo Chen , Liangyu Zhu , Sen Xie , Yujie Ouyang , Hao Sang , Fan Yan , Yong Liu , Qingjie Zhang , Aiji Wang , Jinxing Zhang , Wei Liu , Xinfeng Tang
{"title":"Composition-tuned Fermi level and anomalous Hall effect in epitaxial grown Mn(Bi1-xSbx)2Te4 thin films","authors":"Jiangfan Luo , Xiaoqing Bao , Yanbin Zhou , Qiwei Tong , Zhuo Chen , Liangyu Zhu , Sen Xie , Yujie Ouyang , Hao Sang , Fan Yan , Yong Liu , Qingjie Zhang , Aiji Wang , Jinxing Zhang , Wei Liu , Xinfeng Tang","doi":"10.1016/j.mtphys.2025.101646","DOIUrl":"10.1016/j.mtphys.2025.101646","url":null,"abstract":"<div><div>MnBi<sub>2</sub>Te<sub>4</sub>-based intrinsic magnetic topological insulators have attracted keen interest for many exotic quantum states, such as quantum anomalous Hall (QAH) insulator state and axion insulator state. Such intriguing quantum states have been extensively studied in the atomically thin flakes exfoliated from single crystals. Due to the advantages of thin film processes that facilitate large-scale fabrication and the control of film thickness, MnBi<sub>2</sub>Te<sub>4</sub>-based thin films could be indispensable for further pursuit of the QAH effect and for exploring other intriguing quantum states, but they urgently need further exploration. Here, we fabricate high-quality Mn(Bi<sub>1-x</sub>Sb<sub>x</sub>)<sub>2</sub>Te<sub>4</sub> (0 ≤ x ≤ 1) thin films by molecular beam epitaxy, and investigate the effect of Sb content on Fermi level, band topology and intrinsic magnetism. The angle-resolved photoemission spectroscopy and electrical transport measurements demonstrate a continuous transition from n-type to p-type can be realized by increasing Sb contents, while the Fermi level is close to the charge neutral point at x = 0.25. Mn(Bi<sub>1-x</sub>Sb<sub>x</sub>)<sub>2</sub>Te<sub>4</sub> films exhibit AH sign reversal and a transition of magnetic exchange interaction across x = 0.5, as a consequence of the topological phase transition induced by lifting Sb content. Furthermore, the promising MnBi<sub>1.5</sub>Sb<sub>0.5</sub>Te<sub>4</sub> film acquires the most remarkable AH signal among all films and presents robust spontaneous surface magnetization. Our results pave the way for exploring the QAH effect on the potential platform of MnBi<sub>1.5</sub>Sb<sub>0.5</sub>Te<sub>4</sub> films.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101646"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142917629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Boyu Liu, Zhongyang Wang, Yan Zheng, Lianduan Zeng, Junjia Liu, Tongxiang Fan, Xiao Zhou
{"title":"Suppressing reflectance in Reststrahlen bands of Cu0.64Cr1.51Mn(0.85-x)CoxO4 to achieving broadband high emissivity via phonon vibration modes coupling","authors":"Boyu Liu, Zhongyang Wang, Yan Zheng, Lianduan Zeng, Junjia Liu, Tongxiang Fan, Xiao Zhou","doi":"10.1016/j.mtphys.2025.101649","DOIUrl":"10.1016/j.mtphys.2025.101649","url":null,"abstract":"<div><div>Broadband high-emissivity materials are extremely attractive in radiative cooling of heat components, energy conservation of industrial furnaces, thermophotovoltaics, and optical camera extinction. In particular, spinel ceramics are intriguing high-emissivity materials due to their excellent infrared radiation properties, high-temperature resistance and oxidation resistance. However, high reflectance in the Reststrahlen band of spinel ceramics still hinders the realization of broadband high infrared emissivity. How to actively tune optical response in Reststrahlen band remains elusive. In this work, we synthesized Cu<sub>0.64</sub>Cr<sub>1.51</sub>Mn<sub>(0.85-<em>x</em>)</sub>Co<sub><em>x</em></sub>O<sub>4</sub> spinel via solid-state reaction and successfully suppressed reflectance in Reststrahlen bands by phonon vibration modes coupling. Broadband high emissivity being greater than 0.917 across 0.25–25 μm spectral range is achieved in Cu<sub>0.64</sub>Cr<sub>1.51</sub>Mn<sub>0.45</sub>Co<sub>0.4</sub>O<sub>4</sub> spinel. This study provides a theoretical guidance for regulating the optical response in Reststrahlen band and achieving broadband high emissivity materials.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101649"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142937012","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhengtao Liu , Zihan Zhang , Tiancheng Ma , Guiyan Dong , Jialiang Cai , Tian Cui , Defang Duan
{"title":"Prediction of high-Tc phonon-mediated superconductivity with strong Ising spin-orbit coupling in monolayer WNO","authors":"Zhengtao Liu , Zihan Zhang , Tiancheng Ma , Guiyan Dong , Jialiang Cai , Tian Cui , Defang Duan","doi":"10.1016/j.mtphys.2025.101667","DOIUrl":"10.1016/j.mtphys.2025.101667","url":null,"abstract":"<div><div>The Ising superconductor, due to its unique upper critical magnetic field, has become one of the most prominent subjects in the field of two-dimensional materials in recent years. Currently, the researches on Type I Ising superconductors mainly focus on transition metal chalcogenides (TMDs), however, the limited superconducting transition temperature (<em>T</em><sub>c</sub>) restricts their practical application. In addition to TMDs, Janus materials with central inversion symmetry breaking are also promising candidates for possessing strong Ising spin orbital couple (SOC). Here, through high-throughput calculations of T-phase and H-phase Janus materials transition metal nitrogen oxides (TMNOs), we obtain a potential high-<em>T</em><sub>c</sub> superconductor H-WNO. By solving the anisotropic Eliasberg equation, its <em>T</em><sub>c</sub> is predicted to be 46 K with strong electron phonon coupling of 1.71. Further calculations show that its Ising SOC is much stronger than Rashba SOC, and its average spin-orbit splitting energy at the Fermi level is comparable to that of the well-known Ising superconductor NbSe<sub>2</sub>, indicating that WNO is a potential excellent Ising superconductor. This is the first time that a Janus superconductor with high-<em>T</em><sub>c</sub> and strong Ising SOC was predicted. Our work opens up a new field to searching for high-<em>T</em><sub>c</sub> Ising superconductors.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101667"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143072588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Premkumar Jayaraman , Hamed Pourzolfaghar , Yuan-Yao Li , Helen Annal Therese
{"title":"Boosted ion switching at the electrode-electrolyte interfaces of architecture interdigitated flexible supercapacitors","authors":"Premkumar Jayaraman , Hamed Pourzolfaghar , Yuan-Yao Li , Helen Annal Therese","doi":"10.1016/j.mtphys.2025.101668","DOIUrl":"10.1016/j.mtphys.2025.101668","url":null,"abstract":"<div><div>The pillar-array interdigitated solid-state super cap-electronics (PISSC) is a cutting-edge energy storage device with a narrow gap between isolated electrode channels, allowing for faster ionic switching and lower ionic resistance. Notably, we fabricated a symmetric supercapacitor (SnS<sub>2</sub>‖PVA-LiClO<sub>4</sub>‖SnS<sub>2</sub>) using electron beam evaporation and employed physical vapor deposition (PVD) to construct thin, flexible electrodes in both pillar-array interdigitated (PISSC) and stacked (SSSC) configurations. Electrochemical performance and kinetic characteristics were evaluated for each configuration. At a scan rate of 5 mV s<sup>−1</sup>, the PISSC showed notable pseudo-capacitive behavior with a superior volumetric capacitance (C<sub>Vol</sub>) of 1410.5 F cm<sup>−3</sup>. We examined the switching mechanisms and kinetics under different conditions, such as OFF, ON, and V<sub>D</sub>-states, which resulted in the quantification of AC conductivity (σ<sub>AC</sub>), diffusion coefficient (D<sub>0</sub>), electron transfer rate (k<sub>0</sub>), carrier mobility (μ<sub>C</sub>) and carrier density (n<sub>C</sub>). The PISSC outperformed the SSSC with an AC ionic conductivity of 1.53 × 10<sup>−3</sup> S cm<sup>1</sup>, diffusion coefficient of 1.8 × 10<sup>−10</sup> cm<sup>2</sup> s<sup>−1</sup> and carrier mobility of 146 cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup>, demonstrated by the operation of red LEDs connected to a 4V circuit. Additionally, the PISSC sustained excellent performance even when bent from 0 to 180°, highlighting its potential for flexible electronic applications.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101668"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191771","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Designing layered oxides as cathodes for sodium-ion batteries: Machine learning and density functional theory based modeling","authors":"Nishant Mishra , Rajdeep Boral , Tanmoy Paul","doi":"10.1016/j.mtphys.2024.101634","DOIUrl":"10.1016/j.mtphys.2024.101634","url":null,"abstract":"<div><div>To accelerate the application of Na-ion batteries in electric vehicles, it is necessary to develop new materials with high average voltage (AV). P2 and O3-type sodium layered oxides (Na<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>TMO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>) have been identified as cathodes for sodium-ion batteries with faster Na diffusion and high-rate kinetics for the former. However, a low capacity at the initial stage limits their application. To overcome the issue dual doping of 3d transition metals (TMs) with an equal ratio strategy is employed with the help of combined machine learning (ML) with density functional theory (DFT) calculations and AV of candidate compounds are predicted from a smaller dataset of 650 compounds. Both physical and electronic descriptors of elements for each compound are utilized for ML model training. The evaluation coefficient (R<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span>) and root mean squared error (RMSE) of the XGBoost model were up to 0.85 and 0.41 respectively to predict the AV during testing of the model. Seven novel quaternary (Na<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>67</mn></mrow></msub></math></span>TM1<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub></math></span>TM2<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> namely Na<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>67</mn></mrow></msub></math></span>Ti<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub></math></span>Fe<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, Na<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>67</mn></mrow></msub></math></span>Ti<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub></math></span>Cr<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, Na<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>67</mn></mrow></msub></math></span>V<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub></math></span>Fe<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>) and pentanary compounds (Na<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>67</mn></mrow></msub></math></span>TM1<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub></math></span>TM2<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>5</mn></mrow></msub","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101634"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142904880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Asymmetric hysteresis loop due to hidden local magnetic state in a Weyl semimetal","authors":"Qing-Qi Zeng , Xi-Tong Xu , En-Ke Liu , Zhe Qu","doi":"10.1016/j.mtphys.2024.101642","DOIUrl":"10.1016/j.mtphys.2024.101642","url":null,"abstract":"<div><div>Magnetic Weyl semimetals, which couple magnetic order with topological features, have emerged as promising candidates for advanced applications based on topological materials. The switching of magnetization and the driving of domain wall motion play key roles in developing such applications. In this study, we propose that a type of hard-magnetic nuclei dominates the magnetic reversal and induces an asymmetric hysteresis loop, which resembles exchange bias effect. The sign change of this bias-like behavior can be realized by controlling the orientation of these hard-magnetic nuclei. Notably, these nuclei can retain their magnetic orientation at temperatures well above the material’s Curie temperature, suggesting the existence of a local magnetic state with non-zero magnetization and high stability. Our study offers a new scenario for manipulating the magnetic reversal and provides further insights into the magnetism of this Weyl system.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101642"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142917628","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nan Xin , Yilong Zhang , Yifei Li , Guihua Tang , Yinan Nie , Yang Hu , Min Zhang , Xin Zhao , Dian Huang , Hao Shen
{"title":"Boosts thermoelectric performance of Al/Na co-doped polycrystalline SnSe via intermediate band and multi-scale defect engineering","authors":"Nan Xin , Yilong Zhang , Yifei Li , Guihua Tang , Yinan Nie , Yang Hu , Min Zhang , Xin Zhao , Dian Huang , Hao Shen","doi":"10.1016/j.mtphys.2025.101660","DOIUrl":"10.1016/j.mtphys.2025.101660","url":null,"abstract":"<div><div>Thermoelectric (TE) materials have great potential in the energy recovery and environmental protection. Single crystal tin selenide (SnSe) demonstrates advantaged TE performance across a broad temperature range, but it is easy to form mechanical cracks and difficult to apply in devices. Poly-crystallization effectively enhances its mechanical properties but severely limits the hole transport reducing TE performance. Here, we provide an efficient strategy to increase hole concentration and introduce intermediate band for enhancing the electrical performance of polycrystalline SnSe in its advantaged temperature range via Al/Na co-doping. Specifically, Na dopant increases the hole concentration from 2.60 × 10<sup>17</sup> cm<sup>−3</sup> to 1.20 × 10<sup>19</sup> cm<sup>−3</sup>, while Al dopant introduces intermediate band to reduce the thermal excitation temperature and promote the hole transition. As a result, the power factor of Al<sub>0.01</sub>Na<sub>0.01</sub>Sn<sub>0.98</sub>Se reaches to 10.78 μW cm<sup>−1</sup> K<sup>−2</sup> at 823 K. In addition, we used the volatilization of carbonate to introduce dislocations and point defects in SnSe. The multi-scale defects effectively scattered phonons, making the thermal conductivity of 0.39 W m<sup>−1</sup> K<sup>−1</sup> is achieved in Al<sub>0.03</sub>Na<sub>0.01</sub>Sn<sub>0.96</sub>Se. Benefit from the optimization strategies of both electrical and thermal performance, a state-of-the-art peak <em>ZT</em> of ∼1.73 is achieved in Al<sub>0.01</sub>Na<sub>0.01</sub>Sn<sub>0.98</sub>Se. This work reveals the key roles of intermediate bands and dislocations in regulating the thermal excitation temperature and anisotropic thermal conductivity of SnSe, and it provides a new idea for improving the TE performance of SnSe-based materials.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101660"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143020890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xinli Ye , Yuxin Zhang , Jianqing Xu , Shan Li , Xiaomin Ma , Linglin Cao , Junxiong Zhang , Xiaohua Zhang , Kai Zheng
{"title":"Synergistic enhancement of radar wave absorption in SiC/Al2O3 composites via structural tuning, composition optimization, and unit design","authors":"Xinli Ye , Yuxin Zhang , Jianqing Xu , Shan Li , Xiaomin Ma , Linglin Cao , Junxiong Zhang , Xiaohua Zhang , Kai Zheng","doi":"10.1016/j.mtphys.2025.101662","DOIUrl":"10.1016/j.mtphys.2025.101662","url":null,"abstract":"<div><div>Due to the limitations in structure and loss mechanisms, achieving both excellent reflection loss and broadband electromagnetic absorption simultaneously has been challenging for SiC-based materials. In this study, an innovative approach was adopted to fabricate Al<sub>2</sub>O<sub>3</sub>-modified SiC (SiC/Al<sub>2</sub>O<sub>3</sub>) ceramic matrix composites by polymer impregnation and pyrolysis method, and oxidation of a carbon framework. Through structural engineering, the introduction of Al<sub>2</sub>O<sub>3</sub> phase established different loss mechanisms, such as dielectric loss and conductive loss. During the X-band (8.20–12.40 GHz), the resulting composite achieved a minimum reflection loss (RL<sub>min</sub>) of −50.52 dB at a thickness of 2.20 mm, with an effective absorption bandwidth (EAB) of just 2.28 GHz. Building upon this foundation, two different periodic metamaterial structures were designed to optimize the electromagnetic absorption performance of the SiC/Al<sub>2</sub>O<sub>3</sub> composite. By employing a multi-scale design strategy, significant improvements in both RL<sub>min</sub> and EAB were achieved innovatively. The cross-shaped structure achieved efficient absorption across a frequency range of 8.20–12.40 GHz, reaching an RL<sub>min</sub> of −78.69 dB and an EAB of 3.32 GHz at a total thickness of 2.80 mm. This research provides a novel approach for designing advanced SiC-based metamaterials with excellent radar stealth performance in the X-band.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101662"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143026756","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"High precision prediction of structure and thermal properties of ternary eutectic carbonates by machine learning potential for solar energy application","authors":"Heqing Tian, Tianyu Liu, Wenguang Zhang","doi":"10.1016/j.mtphys.2025.101670","DOIUrl":"10.1016/j.mtphys.2025.101670","url":null,"abstract":"<div><div>Molten carbonates with high operating temperatures and excellent thermal properties are very promising phase change material for high temperature thermal energy storage. However, the structure and thermal properties of carbonates at high temperatures are lacking and difficult to measure accurately. Here, a deep potential model of ternary eutectic carbonates was developed by using first-principles molecular dynamics (FPMD) simulations as an initial dataset, and active learning using Deep Potential GENerator. The results indicate that the structure of carbonates becomes loose with increasing temperature, there is rotation of the CO<sub>3</sub><sup>2-</sup> in motion, and there is a slight oscillation of the C-O bond. As the temperature increases from 700K to 1100K, the density linearly decreases from 2.01 g/cm³ to 1.86 g/cm³, and the viscosity exponentially decreases from 32.824 mPa⋅s to 3.806 mPa⋅s. The density, specific heat capacity, thermal conductivity and viscosity obtained from the simulation are in good agreement with the experimental values, where the minimum error in viscosity is only 2.45 %. This study opens a pathway to use machine learning potential to predict the melt structure and thermal properties of complex molten salt systems with high accuracy.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101670"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143191772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zihao Guan , Zhiyuan Wei , Yanyan Xue , Lulu Fu , Yang Zhao , Lu Chen , Zhipeng Huang , Mark G. Humphrey , Jun Xu , Chi Zhang
{"title":"Poly(methyl methacrylate)-assisted construction for enhanced optical absorption nonlinearities in two-dimensional Dion-Jacobson perovskite films","authors":"Zihao Guan , Zhiyuan Wei , Yanyan Xue , Lulu Fu , Yang Zhao , Lu Chen , Zhipeng Huang , Mark G. Humphrey , Jun Xu , Chi Zhang","doi":"10.1016/j.mtphys.2025.101652","DOIUrl":"10.1016/j.mtphys.2025.101652","url":null,"abstract":"<div><div>Two-dimensional (2D) Ruddlesden-Popper (RP) and Dion-Jacobson (DJ) perovskites are attractive candidates for nonlinear photonic applications, owing to their unique “multiple quantum wells” structures. However, the nonlinear optical (NLO) absorption properties of DJ perovskites with higher structural stability and charge transport capability are still not well known. Additionally, the defects at grain boundaries are a key issue limiting the optoelectronic performance of perovskite films. In this work, three n = 1 phase 2D DJ perovskite films with representative organic cations were prepared, which are (BDA)PbI<sub>4</sub>, (AMP)PbI<sub>4</sub>, and (PDMA)PbI<sub>4</sub>, respectively (BDA: 1,4-butadiammonium, AMP: 4-(aminomethyl)piperidine, PDMA: 1,4-phenylenedimethanammonium). The impact of the interlayer organic cation steric effect and conjugation effect on their NLO absorption properties was systematically explored. Subsequently, a novel poly(methyl methacrylate) (PMMA) passivation strategy was proposed that improved crystal quality and reduced perovskite ion defects. NLO absorption measurements demonstrate all pristine perovskite films manifest saturable absorption (SA) responses under femtosecond (fs) laser pulses at 515 nm and turn to reverse saturable absorption (RSA) behaviors at 800 nm. These can be attributed to the quantum and dielectric confinement effects of 2D perovskites, while the better interlayer charge transport of 2D DJ perovskites also contributes to the prominent nonlinear absorption performance. After PMMA passivation treatment, 2D DJ perovskite films exhibited significantly enhanced nonlinear absorption properties under wide-band ultrafast lasers excitation, which benefit from better crystal quality and reduced trap states, implying good universality of this strategy. Owing to the hydrophobicity of PMMA, its addition also induces better ambient stability in passivated films, improving the feasibility of this material in the practical development of photonic devices and thus having broad application prospects. This work offers new insights and a more systematic mechanism explanation for the NLO absorption properties of 2D DJ perovskite films, and presents a feasible passivation strategy for optimizing their NLO absorption performance.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"51 ","pages":"Article 101652"},"PeriodicalIF":10.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142981481","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}