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Unraveling the evolution of multigap superconductivity in layered Na–B–C films: An additional energy gap induced by the internal B–C layer 揭示层状 Na-B-C 薄膜的多隙超导演化:内部 B-C 层诱导的额外能隙
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-06 DOI: 10.1016/j.mtphys.2024.101532
Xianghui Meng , Yanqing Shen , Lingling Lv , Min Zhou , Xin Yang , Yu Zhang , Long Pang , Peng E , Zhongxiang Zhou
{"title":"Unraveling the evolution of multigap superconductivity in layered Na–B–C films: An additional energy gap induced by the internal B–C layer","authors":"Xianghui Meng ,&nbsp;Yanqing Shen ,&nbsp;Lingling Lv ,&nbsp;Min Zhou ,&nbsp;Xin Yang ,&nbsp;Yu Zhang ,&nbsp;Long Pang ,&nbsp;Peng E ,&nbsp;Zhongxiang Zhou","doi":"10.1016/j.mtphys.2024.101532","DOIUrl":"10.1016/j.mtphys.2024.101532","url":null,"abstract":"<div><p>Multigap superconductors provide a platform to confirm rich new physics such as time-reversal symmetry breaking, giant paramagnetic response, and hidden criticality. However, an obstacle hindering the experimental validation of these phenomena lies in the lack of superconductors with three or more gaps and critical temperatures higher than the liquid nitrogen temperature. In this work, we predicted NaB<sub>2</sub>C<sub>2</sub> and Na<sub>2</sub>B<sub>3</sub>C<sub>3</sub> films with high-temperature superconductivity (beyond 90 K) using the fully anisotropic Migdal-Eliashberg theory. The multigap behaviors of Na–B–C films with three and five atomic layers were analyzed in detail, revealing two typical configurations: three-gap (NaB<sub>2</sub>C<sub>2</sub>) and four-gap (Na<sub>2</sub>B<sub>3</sub>C<sub>3</sub>) superconductors. Compared with the NaB<sub>2</sub>C<sub>2</sub> film, the additional gap observed in the Na<sub>2</sub>B<sub>3</sub>C<sub>3</sub> film originates from the in-plane covalent state of the internal B–C layer. This research offers valuable insights into the evolution of multigap superconductivity in layered B–C films.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"47 ","pages":"Article 101532"},"PeriodicalIF":10.0,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141953916","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}
引用次数: 0
Regulation of dynamic recrystallization in p-type Bi2Te3-based compounds leads to high thermoelectric performance and robust mechanical properties 调节 p 型 Bi2Te3 基化合物的动态再结晶可实现高热电性能和稳健的机械特性
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-01 DOI: 10.1016/j.mtphys.2024.101524
Shuo Chen , Tingting Luo , Zhen Yang , Shenlong Zhong , Xianli Su , Yonggao Yan , Jinsong Wu , Pierre Ferdinand Poudeu Poudeu , Qingjie Zhang , Xinfeng Tang
{"title":"Regulation of dynamic recrystallization in p-type Bi2Te3-based compounds leads to high thermoelectric performance and robust mechanical properties","authors":"Shuo Chen ,&nbsp;Tingting Luo ,&nbsp;Zhen Yang ,&nbsp;Shenlong Zhong ,&nbsp;Xianli Su ,&nbsp;Yonggao Yan ,&nbsp;Jinsong Wu ,&nbsp;Pierre Ferdinand Poudeu Poudeu ,&nbsp;Qingjie Zhang ,&nbsp;Xinfeng Tang","doi":"10.1016/j.mtphys.2024.101524","DOIUrl":"10.1016/j.mtphys.2024.101524","url":null,"abstract":"<div><p>Bi<sub>2</sub>Te<sub>3</sub>-based bulk materials are the best commercially available thermoelectric materials for near room temperature applications. However, the poor mechanical properties of zone melting material and inferior thermoelectric performance of powder metallurgical material restrict their large scale deployment. In this study, <em>p</em>-type Bi₂Te₃-based materials were prepared using the hot extrusion technique, and the underlying mechanisms for microstructure evolution were revealed. The hot extrusion speed significantly impacts the strain rate, an indicator to modulate the dynamic recrystallization (DRX) and grain growth, thereby effectively regulating the microstructures of samples. For the sample extruded at a speed of 1.0 mm min<sup>−1</sup>, the refined grain with an average grain size of 1.53 μm and an orientation factor <em>F</em><sub>(110)</sub> of 0.28 is achieved. This highly textured structure and high-density low-angle boundaries (LAGBs) maintain the high carrier mobility of 264 cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup>, comparable with the zone melting sample. In contrast, increasing grain boundaries, dislocations, and inherent point defects intensifies the phonon scattering and suppresses the lattice thermal conductivity to 0.73 W m<sup>−1</sup> K<sup>−1</sup>. All these contribute to a practical high <em>ZT</em> value of 1.1 at room temperature. Moreover, the fine grains and high-density dislocations ensure robust mechanic properties with a compressive strength of 189 MPa and a bending strength of 139 MPa, which is a guarantee for the successful cutting of microparticles with dimensions of 100 × 100 × 200 μm<sup>3</sup>. The fabrication of high-quality materials with both high thermoelectric performance and strong mechanical properties paves the way for the miniaturization of thermoelectric modules.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"46 ","pages":"Article 101524"},"PeriodicalIF":10.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141848355","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}
引用次数: 0
Hierarchical characterization of thermoelectric performance in copper-based chalcogenide CsCu3S2: Unveiling the role of anharmonic lattice dynamics 铜基同素异形体 CsCu3S2 热电性能的层次表征:揭示非谐波晶格动力学的作用
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-01 DOI: 10.1016/j.mtphys.2024.101517
Jincheng Yue , Jiongzhi Zheng , Junda Li , Xingchen Shen , Wenling Ren , Yanhui Liu , Tian Cui
{"title":"Hierarchical characterization of thermoelectric performance in copper-based chalcogenide CsCu3S2: Unveiling the role of anharmonic lattice dynamics","authors":"Jincheng Yue ,&nbsp;Jiongzhi Zheng ,&nbsp;Junda Li ,&nbsp;Xingchen Shen ,&nbsp;Wenling Ren ,&nbsp;Yanhui Liu ,&nbsp;Tian Cui","doi":"10.1016/j.mtphys.2024.101517","DOIUrl":"10.1016/j.mtphys.2024.101517","url":null,"abstract":"<div><p>Fundamental understanding of anharmonic lattice dynamics and heat conductance physics in crystalline compounds is critical for the development of thermoelectric energy conversion devices. Herein, we thoroughly investigate the microscopic mechanisms of thermal transport in CsCu<sub>3</sub>S<sub>2</sub> by coupling the self-consistent phonon (SCP) theory with the linearized Wigner transport equation (LWTE). We explicitly consider both phonon energy shifts and broadening arising from both cubic and quartic anharmonicities, as well as diagonal/non-diagonal terms of heat flux operators in thermal conductivity. Our findings show that the strong anharmonicity of CsCu<sub>3</sub>S<sub>2</sub> primarily arises from the presence of <em>p</em>-<em>d</em> anti-bonding hybridization between Cu and S atoms, coupled with the random oscillations of Cs atoms. Notably, the competition between phonon hardening described by the loop diagram and softening induced by the bubble diagram significantly influences particle-like propagation, predominantly reflected in group velocity and energy-conservation rule. Additionally, the electrical transport properties are determined by employing the precise momentum relaxation-time approximation (MRTA). At high temperatures, the thermoelectric performance of <em>p</em>-type CsCu<sub>3</sub>S<sub>2</sub> reaches its optimum theoretical value of 0.94 along the in-plane direction based on advanced phonon renormalization theory. In striking contrast, the harmonic approximation theory significantly overestimates the thermoelectric efficiency at the same temperatures, rendering it an impractical expectation. Conversely, the first-order renormalization approach leads to a serious underestimation of the thermoelectric properties due to the over-correction of phonon energy. Our study not only reveals the pivotal role of anharmonic lattice dynamics in accurately assessing thermoelectric properties but also underscores the potential thermoelectric applications for novel copper-based chalcogenides.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"46 ","pages":"Article 101517"},"PeriodicalIF":10.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141877823","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}
引用次数: 0
Magnetic field-dependent thermopower: Insights into spin and quantum interactions 取决于磁场的热功率:自旋和量子相互作用的启示
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-01 DOI: 10.1016/j.mtphys.2024.101526
Md Mobarak Hossain Polash , Mohammad Alidoosti , Michael Hall , Daryoosh Vashaee
{"title":"Magnetic field-dependent thermopower: Insights into spin and quantum interactions","authors":"Md Mobarak Hossain Polash ,&nbsp;Mohammad Alidoosti ,&nbsp;Michael Hall ,&nbsp;Daryoosh Vashaee","doi":"10.1016/j.mtphys.2024.101526","DOIUrl":"10.1016/j.mtphys.2024.101526","url":null,"abstract":"<div><p>This study explores the impact of external magnetic fields on thermoelectric properties, focusing on the interplay of spin and quantum effects. Using gadolinium (Gd) as a case study, we observed anomalous magneto-thermopower trends, with a reduction in thermopower at ∼35 K and an enhancement at <em>T</em><sub><em>C</em></sub> ≈ 293 K under high magnetic fields. Comprehensive temperature and field-dependent measurements, including specific heat capacity, magnetic susceptibility, and Hall effect, were performed to uncover the underlying mechanisms. We derived a relation for the total thermopower of an uncompensated ferromagnetic metal and calculated multi-band carrier characteristics, such as concentration and mobility, using the maximum entropy principle. Our findings reveal a ∼70 % suppression of the magnetic contribution to specific heat capacity under a 12 T field and a positive magnon-drag contribution to the total thermopower. Field-dependent Hall measurements indicate that the anomalous Hall effect is dominated by intrinsic contributions from Berry curvature. Additionally, transverse magnetoresistance data suggest anisotropic Fermi surfaces, domain movement, suppression of spin-flip effects, and Fermi surface modifications. First-principles calculations based on Density Functional Theory (DFT) further support these findings. These calculations reveal significant Berry curvature contributions, leading to an anomalous Hall conductivity of approximately 1260 S/cm at the Fermi level. The enhancement of thermopower near <em>T</em><sub><em>C</em></sub> is primarily attributed to the suppression of magnon-drag and the imbalance in carrier mobility and relaxation times, driven by spin and quantum effects. These combined effects result in a ∼50 % increase in thermopower and a ∼150 % improvement in <em>zT</em> at 12 T. The notable peak in <em>zT</em> at cryogenic temperatures highlights a potential pathway for designing efficient thermoelectric materials for cryogenic cooling applications. Our results demonstrate the significance of field-dependent spin and quantum effects in enhancing thermoelectric performance, offering new directions for thermoelectric research and material design.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"46 ","pages":"Article 101526"},"PeriodicalIF":10.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141909624","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}
引用次数: 0
Magnetotransport properties of ternary tetradymite films with high mobility 具有高迁移率的三元四极体薄膜的磁迁移特性
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-01 DOI: 10.1016/j.mtphys.2024.101486
Patrick J. Taylor , Brandi L. Wooten , Owen A. Vail , Harry Hier , Joseph P. Heremans , Jagadeesh S. Moodera , Hang Chi
{"title":"Magnetotransport properties of ternary tetradymite films with high mobility","authors":"Patrick J. Taylor ,&nbsp;Brandi L. Wooten ,&nbsp;Owen A. Vail ,&nbsp;Harry Hier ,&nbsp;Joseph P. Heremans ,&nbsp;Jagadeesh S. Moodera ,&nbsp;Hang Chi","doi":"10.1016/j.mtphys.2024.101486","DOIUrl":"10.1016/j.mtphys.2024.101486","url":null,"abstract":"<div><p>(Bi,Sb)<sub>2</sub>(Te,Se)<sub>3</sub> tetradymite materials are among the most efficient for thermoelectric energy conversion, and most robust for topological insulator spintronic technologies, but should possess rather disparate doping properties to be useful for either technology. In this work, we report results on the molecular beam epitaxy growth of <em>p</em>-type (Bi<sub>0.43</sub>Sb<sub>0.57</sub>)<sub>2</sub>Te<sub>3</sub> and <em>n</em>-type Bi<sub>2</sub>(Te<sub>0.95</sub>Se<sub>0.05</sub>)<sub>3</sub> that can contribute to both technology bases, but are especially useful for topological insulators where low bulk doping is critical for devices to leverage the Dirac-like topological surface states. Comprehensive temperature, field and angular dependent magnetotransport measurements have attested to the superior quality of these ternary tetradymite films, displaying low carrier density on the order of 10<sup>18</sup> cm<sup>−3</sup> and a record high mobility exceeding 10<sup>4</sup> cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup> at 2 K. The remarkable manifestation of strong Shubnikov–de Haas (SdH) quantum oscillation under 9 T at liquid helium temperatures, as well as the analyses therein, has allowed direct experimental investigation of the tetradymite electronic structure with optimized ternary alloying ratio. Our effort substantiates tetradymites as a critical platform for miniaturized thermoelectric cooling and power generation in wearable consumer electronics, as well as for futuristic topological spintronics with unprecedented magnetoelectric functionalities.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"46 ","pages":"Article 101486"},"PeriodicalIF":10.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2542529324001627/pdfft?md5=7861bba9c7f90ecaee275997afe3cfee&pid=1-s2.0-S2542529324001627-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141998364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Breaking through the ‘‘200 nm deep-ultraviolet wall’’ of phase matching region by cation structural modulation 通过阳离子结构调制突破相位匹配区的 "200 纳米深紫外墙
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-01 DOI: 10.1016/j.mtphys.2024.101529
Yi Zheng , Zhijun Wei , Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu
{"title":"Breaking through the ‘‘200 nm deep-ultraviolet wall’’ of phase matching region by cation structural modulation","authors":"Yi Zheng ,&nbsp;Zhijun Wei ,&nbsp;Hongping Wu,&nbsp;Zhanggui Hu,&nbsp;Jiyang Wang,&nbsp;Yicheng Wu,&nbsp;Hongwei Yu","doi":"10.1016/j.mtphys.2024.101529","DOIUrl":"10.1016/j.mtphys.2024.101529","url":null,"abstract":"<div><p>Adjusting birefringence to push the phase-matching (PM) of nonlinear optical (NLO) crystals blue-shifting to the deep-ultraviolet (DUV) region is the inorganic chemists and material scientists' pursuit, while refractive dispersion as an important but easily overlooked optical properties generally brings the unexpected result. Herein, two new Y-based borates, K<sub>2</sub>YB<sub>3</sub>O<sub>6</sub>F<sub>2</sub> and Rb<sub>2</sub>YB<sub>3</sub>O<sub>6</sub>F<sub>2</sub> have been synthesized by the modulation of A-site cation. In both structures, owing to the structure-directing properties of Y-based polyhedra, the natural advantage of π-conjugated [B<sub>3</sub>O<sub>6</sub>] groups was pushed to the greatest extent, theoretical calculations and structure analysis revealed that the coplanar arrangement of [B<sub>3</sub>O<sub>6</sub>] groups results in the large birefringence of K<sub>2</sub>YB<sub>3</sub>O<sub>6</sub>F<sub>2</sub> and Rb<sub>2</sub>YB<sub>3</sub>O<sub>6</sub>F<sub>2</sub>. Importantly, the aligned orientation of [B<sub>3</sub>O<sub>6</sub>] rings makes Rb<sub>2</sub>YB<sub>3</sub>O<sub>6</sub>F<sub>2</sub> possess a strong SHG response of 5.0 × KDP, meanwhile the small dispersion of the refractive indices makes Rb<sub>2</sub>YB<sub>3</sub>O<sub>6</sub>F<sub>2</sub> the first borate crystal containing the strong π-conjugation [B<sub>3</sub>O<sub>6</sub>] rings with the PM limit breaking through the ‘‘200 nm DUV wall’’. This work indicates that refractive dispersion can be effectively reduced through the cation effect, thereby broadening the PM range.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"46 ","pages":"Article 101529"},"PeriodicalIF":10.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141909629","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}
引用次数: 0
Recent progress in metallic-oxygen semiconductors systems towards solar-hydrogen production and investigating mechanisms through different characterization techniques 金属氧半导体系统在太阳能制氢方面的最新进展,以及通过不同表征技术研究其机制
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-01 DOI: 10.1016/j.mtphys.2024.101525
Lingpu Jia , Jafar Hussain Shah , Yuan Luo , Lijuan Huang , Wenlong Liao , Kunping Liu , Zhiming Wang
{"title":"Recent progress in metallic-oxygen semiconductors systems towards solar-hydrogen production and investigating mechanisms through different characterization techniques","authors":"Lingpu Jia ,&nbsp;Jafar Hussain Shah ,&nbsp;Yuan Luo ,&nbsp;Lijuan Huang ,&nbsp;Wenlong Liao ,&nbsp;Kunping Liu ,&nbsp;Zhiming Wang","doi":"10.1016/j.mtphys.2024.101525","DOIUrl":"10.1016/j.mtphys.2024.101525","url":null,"abstract":"<div><p>Renewable energy is the only viable way to effectively address the global challenges of energy crisis and climate change. Among different resources of renewable energies, artificial photosynthesis is considered as the potential candidate to mitigate both challenges simultaneously by converting solar energy into chemical energy. Hydrogen (H<sub>2</sub>) energy is the first choice in the conversion and utilization of solar energy since it can be carried out at room temperature with the advantages of environmentally friendly and low-energy consuming. Up to now, numerous metallic-oxygen group semiconductors have been designed as photocatalyst to produce H<sub>2</sub> from water under light irradiation. However, the conversion efficiency of solar energy to H<sub>2</sub> energy is still very low, which is closely related to light absorption properties, electron hole separation, and surface reaction efficiency. Based on this, this review aims to summarize the strategies developed to improve the H<sub>2</sub> production efficiency by photocatalytic water decomposition from the perspective of band structure regulation, photogenerated charges separation efficiency, and surface reactivity. Besides, the review highlights characterization methods involved in investigating and studying the photocatalytic mechanism trilogy. This review provides detailed understanding about designing photocatalytic systems and predicting the efficiency to researchers from different field of science. It also discusses that how to study the effective theoretical basis and analytical methods for selecting photocatalytic H<sub>2</sub> production materials based on metallic-oxygen group semiconductors.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"46 ","pages":"Article 101525"},"PeriodicalIF":10.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141877797","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}
引用次数: 0
The A-Ni chemical bond in AIIINiSb (AIII=Sc, Y, Er) half-Heusler materials triggers the formation of anomalous vacancy defects AIIINiSb(AIII=Sc、Y、Er)半休斯勒材料中的 A-Ni 化学键引发异常空位缺陷的形成
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-01 DOI: 10.1016/j.mtphys.2024.101531
Qiyong Chen, Lefei Ma, Jiong Yang, Lili Xi
{"title":"The A-Ni chemical bond in AIIINiSb (AIII=Sc, Y, Er) half-Heusler materials triggers the formation of anomalous vacancy defects","authors":"Qiyong Chen,&nbsp;Lefei Ma,&nbsp;Jiong Yang,&nbsp;Lili Xi","doi":"10.1016/j.mtphys.2024.101531","DOIUrl":"10.1016/j.mtphys.2024.101531","url":null,"abstract":"<div><p>Defects exert a profound influence on thermoelectric materials by altering electronic band structures and significantly impacting their performance. Despite being a potentially promising thermoelectric material, the mechanism behind defect formation in half-Heusler (HH) compounds ABX remains unclear, impeding the enhancement of their thermoelectric properties. In this study, we investigated the intrinsic defect formation energies for A<sup>Ⅲ</sup>NiSb (A<sup>Ⅲ</sup> = Sc, Y, Er) and other 9 HH compounds, namely A<sup>Ⅳ</sup>NiSn (A<sup>Ⅳ</sup> = Ti, Zr, Hf), A<sup>Ⅴ</sup>FeSb (A<sup>Ⅴ</sup> = V, Nb, Ta), and A<sup>Ⅳ</sup>CoSb (A<sup>Ⅳ</sup> = Ti, Zr, Hf), using first-principles calculations and thermodynamics. The results reveal that A<sup>Ⅲ</sup>NiSb (A<sup>Ⅲ</sup> = Sc, Y, Er) exhibits anomalous B (Ni) vacancy defects, with their formation energies being significantly lower than those of the corresponding B vacancy defects in the other 9 HH compounds. This anomaly can be attributed to the strength of the A-B bonds, where a decrease in bond strength leads to a decrease in the formation energy of B vacancies. This approach of exploring the influence of interatomic bond strength on defect formation is not only insightful for HH compounds but also holds potential applications in defect studies across various materials, offering a broader perspective on the fundamental mechanisms governing defect formation and stability.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"46 ","pages":"Article 101531"},"PeriodicalIF":10.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141909625","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}
引用次数: 0
Advances in single upconverting nanoparticle sensing 单个上转换纳米粒子传感技术的进展
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-01 DOI: 10.1016/j.mtphys.2024.101520
Jun Zeng , Yunfei Shang , Shuwei Hao , Tong Chen , Zhaojie Sun , Huilin Liu , Chunhui Yang
{"title":"Advances in single upconverting nanoparticle sensing","authors":"Jun Zeng ,&nbsp;Yunfei Shang ,&nbsp;Shuwei Hao ,&nbsp;Tong Chen ,&nbsp;Zhaojie Sun ,&nbsp;Huilin Liu ,&nbsp;Chunhui Yang","doi":"10.1016/j.mtphys.2024.101520","DOIUrl":"10.1016/j.mtphys.2024.101520","url":null,"abstract":"<div><p>Lanthanide doped upconversion nanoparticles (UCNPs) that convert near infrared photons to visible/ultraviolet emissions have been widely used in sensing applications due to high chemical/photostability without bleaching and blinking, large anti-Stokes shift with low autofluorescence background, sharp and tunable emission bands, etc. Normally, these prominent achievements are accomplished by using UCNP ensembles with statistical average luminescence. However, the nanoparticle ensembles neglect the discrepancy between nanoparticles, especially for the interactions between nanoparticles and in situ status. Benefiting from uniform UCNP construction and single particle spectroscopy, the investigations of upconverting sensing have been expanded to single nanoparticle level. These facilitated the revelation of photophysics and photochemistry variations in micro/nano regions, leading to efficient and sensitive in situ detection, tracking, and sensing. Herein, we present a systematic review on the recent advances in single upconverting nanoparticle sensing, including the strategies to obtain uniform and sensitive upconversion nanoprobes, optical detection systems and emerging single UCNP applications in ions, molecules and in situ microenvironment sensing. Then, current challenges and future potentials of single UCNP sensing with high sensitivity and spatial resolution are discussed. This review is expected to inspire more thorough investigations of high throughput single upconverting nanoparticle sensing with high spatial and temporal resolution.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"46 ","pages":"Article 101520"},"PeriodicalIF":10.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141839192","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}
引用次数: 0
Efficient photocatalytic hydrogen evolution by in situ construction of Nb4+ charge-carrier channels in hollow porous tubular C3N4 and Nb2O5 Z-scheme heterojunctions 通过在中空多孔管状 C3N4 和 Nb2O5 Z-Scheme 异质结中原位构建 Nb4+ 电荷载流子通道实现高效光催化氢气进化
IF 1 2区 材料科学
Materials Today Physics Pub Date : 2024-08-01 DOI: 10.1016/j.mtphys.2024.101523
Zhaoyu Ma , Xiafang Jia , Xiaoxi Song , Yuxi Xie , Lijiang Zhao , Junying Zhang
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