Pub Date : 2024-02-26DOI: 10.20517/microstructures.2023.58
Feixiang Long, Yuzhu Song, Jun Chen
The field of magnetic functional materials continues to garner significant attention due to its research and diverse applications, such as magnetic storage and spintronics. Among these, La(Fe,Si/Al)13-based materials exhibit abundant magnetic properties and emerge as highly captivating subjects with immense potential. This review provides an overview of the diverse magnetic structures and itinerant electron metamagnetic transition observed in La(Fe,Si/Al)13-based materials. The transformation of different magnetic configurations elicits the phenomena such as negative thermal expansion, magnetostriction, magnetocaloric effect, and barocaloric effect. In addition, the pivotal role of spin and lattice coupling in these phenomena is revealed. The magnetic functionalities of La(Fe,Si/Al)13-based materials can be controlled through adjustments of magnetic exchange interactions. Key methods, including chemical substitution, external field application, and interstitial atom insertion, enable precise modulation of these functionalities. This review not only provides valuable insights into the design and development of magnetic functional materials but also offers significant contributions to our understanding of the underlying mechanisms governing their magnetic behaviors.
{"title":"La(Fe,Si/Al)13-based materials with exceptional magnetic functionalities: a review","authors":"Feixiang Long, Yuzhu Song, Jun Chen","doi":"10.20517/microstructures.2023.58","DOIUrl":"https://doi.org/10.20517/microstructures.2023.58","url":null,"abstract":"The field of magnetic functional materials continues to garner significant attention due to its research and diverse applications, such as magnetic storage and spintronics. Among these, La(Fe,Si/Al)13-based materials exhibit abundant magnetic properties and emerge as highly captivating subjects with immense potential. This review provides an overview of the diverse magnetic structures and itinerant electron metamagnetic transition observed in La(Fe,Si/Al)13-based materials. The transformation of different magnetic configurations elicits the phenomena such as negative thermal expansion, magnetostriction, magnetocaloric effect, and barocaloric effect. In addition, the pivotal role of spin and lattice coupling in these phenomena is revealed. The magnetic functionalities of La(Fe,Si/Al)13-based materials can be controlled through adjustments of magnetic exchange interactions. Key methods, including chemical substitution, external field application, and interstitial atom insertion, enable precise modulation of these functionalities. This review not only provides valuable insights into the design and development of magnetic functional materials but also offers significant contributions to our understanding of the underlying mechanisms governing their magnetic behaviors.","PeriodicalId":515723,"journal":{"name":"Microstructures","volume":"53 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140430816","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Diamond and cubic boron nitride (BN) are important materials with a variety of technological and industrial applications; however, overcoming the intrinsic brittleness of these materials is still a challenge. Here, we synthesize a compound of crystalline BN and amorphous diamond-like carbon through BN nanotubes and fullerene under high pressure and high temperature conditions. The obtained composite exhibits excellent combination of a measured Vickers’ hardness of 86.2 GPa and fracture toughness of 10.2 MPa m1/2. Morphological and structural characterizations reveal that the amorphous diamond-like carbon is homogeneously embedded in a matrix of dense BN. The formation of the amorphous diamond-like carbon particles within the polycrystalline BN can effectively impede the migration of crack tips when the compound is subjected to the plastic deformation, in which most of crack tips are forced to deflect or confined near the boundaries of dense BN and amorphous diamond particles. The crystalline-amorphous composite strengthening presented here may provide a promising strategy for the further improvement of mechanical properties of hard or superhard materials.
{"title":"Amorphous diamond embedded in dense boron nitride with excellent mechanical properties","authors":"Junkai Li, Guoliang Niu, Peiyang Mu, Bingmin Yan, Fuyang Liu, Shijing Zhao, Leiming Fang, Huiyang Gou","doi":"10.20517/microstructures.2023.54","DOIUrl":"https://doi.org/10.20517/microstructures.2023.54","url":null,"abstract":"Diamond and cubic boron nitride (BN) are important materials with a variety of technological and industrial applications; however, overcoming the intrinsic brittleness of these materials is still a challenge. Here, we synthesize a compound of crystalline BN and amorphous diamond-like carbon through BN nanotubes and fullerene under high pressure and high temperature conditions. The obtained composite exhibits excellent combination of a measured Vickers’ hardness of 86.2 GPa and fracture toughness of 10.2 MPa m1/2. Morphological and structural characterizations reveal that the amorphous diamond-like carbon is homogeneously embedded in a matrix of dense BN. The formation of the amorphous diamond-like carbon particles within the polycrystalline BN can effectively impede the migration of crack tips when the compound is subjected to the plastic deformation, in which most of crack tips are forced to deflect or confined near the boundaries of dense BN and amorphous diamond particles. The crystalline-amorphous composite strengthening presented here may provide a promising strategy for the further improvement of mechanical properties of hard or superhard materials.","PeriodicalId":515723,"journal":{"name":"Microstructures","volume":"36 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139800561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Diamond and cubic boron nitride (BN) are important materials with a variety of technological and industrial applications; however, overcoming the intrinsic brittleness of these materials is still a challenge. Here, we synthesize a compound of crystalline BN and amorphous diamond-like carbon through BN nanotubes and fullerene under high pressure and high temperature conditions. The obtained composite exhibits excellent combination of a measured Vickers’ hardness of 86.2 GPa and fracture toughness of 10.2 MPa m1/2. Morphological and structural characterizations reveal that the amorphous diamond-like carbon is homogeneously embedded in a matrix of dense BN. The formation of the amorphous diamond-like carbon particles within the polycrystalline BN can effectively impede the migration of crack tips when the compound is subjected to the plastic deformation, in which most of crack tips are forced to deflect or confined near the boundaries of dense BN and amorphous diamond particles. The crystalline-amorphous composite strengthening presented here may provide a promising strategy for the further improvement of mechanical properties of hard or superhard materials.
{"title":"Amorphous diamond embedded in dense boron nitride with excellent mechanical properties","authors":"Junkai Li, Guoliang Niu, Peiyang Mu, Bingmin Yan, Fuyang Liu, Shijing Zhao, Leiming Fang, Huiyang Gou","doi":"10.20517/microstructures.2023.54","DOIUrl":"https://doi.org/10.20517/microstructures.2023.54","url":null,"abstract":"Diamond and cubic boron nitride (BN) are important materials with a variety of technological and industrial applications; however, overcoming the intrinsic brittleness of these materials is still a challenge. Here, we synthesize a compound of crystalline BN and amorphous diamond-like carbon through BN nanotubes and fullerene under high pressure and high temperature conditions. The obtained composite exhibits excellent combination of a measured Vickers’ hardness of 86.2 GPa and fracture toughness of 10.2 MPa m1/2. Morphological and structural characterizations reveal that the amorphous diamond-like carbon is homogeneously embedded in a matrix of dense BN. The formation of the amorphous diamond-like carbon particles within the polycrystalline BN can effectively impede the migration of crack tips when the compound is subjected to the plastic deformation, in which most of crack tips are forced to deflect or confined near the boundaries of dense BN and amorphous diamond particles. The crystalline-amorphous composite strengthening presented here may provide a promising strategy for the further improvement of mechanical properties of hard or superhard materials.","PeriodicalId":515723,"journal":{"name":"Microstructures","volume":"438 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139860714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-12DOI: 10.20517/microstructures.2023.52
Jie Sun, Yiming Li, Di Hu, Bowen Shen, Boyang Zhang, Zilong Wang, Haiyue Tang, Anquan Jiang
Commercial nonvolatile Ferroelectric Random Access Memory employs a destructive readout scheme based on charge sensing, which limits its cell scalability in sizes above 100 nm. Ferroelectric domain walls are two-dimensional topological interfaces with thicknesses approaching the unit cell level between two antiparallel domains and exhibit electrical conductivity, distinguishing them from insulating matrices that are uniformly ordered. Recently, novel research has been devoted to utilizing this extraordinary interface for the application in nonvolatile memory with nanometer-sized scalability and low energy consumption. Here, we pay more attention to the development of the domain wall memory technologies in the future with challenges and opportunities to design planar and vertical arrays of the memory cells in the CMOS platform.
{"title":"Roadmap for ferroelectric domain wall memory","authors":"Jie Sun, Yiming Li, Di Hu, Bowen Shen, Boyang Zhang, Zilong Wang, Haiyue Tang, Anquan Jiang","doi":"10.20517/microstructures.2023.52","DOIUrl":"https://doi.org/10.20517/microstructures.2023.52","url":null,"abstract":"Commercial nonvolatile Ferroelectric Random Access Memory employs a destructive readout scheme based on charge sensing, which limits its cell scalability in sizes above 100 nm. Ferroelectric domain walls are two-dimensional topological interfaces with thicknesses approaching the unit cell level between two antiparallel domains and exhibit electrical conductivity, distinguishing them from insulating matrices that are uniformly ordered. Recently, novel research has been devoted to utilizing this extraordinary interface for the application in nonvolatile memory with nanometer-sized scalability and low energy consumption. Here, we pay more attention to the development of the domain wall memory technologies in the future with challenges and opportunities to design planar and vertical arrays of the memory cells in the CMOS platform.","PeriodicalId":515723,"journal":{"name":"Microstructures","volume":"51 17","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139531660","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ferroelectric thin films with high index orientations are found to possess unique structures and properties. In this work, we constructed the misfit strain-misfit strain phase diagram of (110)-oriented PbTiO3 (PTO) thin films by phase-field simulations. The evolutions of ferroelectric phase structures, domain morphologies, volume fractions, and polarization components with the anisotropic strains were analyzed in detail. Large anisotropic strains exist between the orthorhombic scandate substrates and (110)-oriented PTO films, which makes it possible to engineer the structures and properties by anisotropic strain. These results deepen the understanding of ferroelectric domain structures of (110)-oriented PTO films under the anisotropic strain and provide theoretical support for the anisotropic strain engineering of high-index thin films experimentally.
{"title":"Misfit strain-misfit strain phase diagram of (110)-oriented ferroelectric PbTiO3 films: a phase-field study","authors":"Hui-Mei Li, Heng Zhang, Yujia Wang, Yunlong Tang, Yiniei Zhu, Xiu-Liang Ma","doi":"10.20517/microstructures.2023.53","DOIUrl":"https://doi.org/10.20517/microstructures.2023.53","url":null,"abstract":"Ferroelectric thin films with high index orientations are found to possess unique structures and properties. In this work, we constructed the misfit strain-misfit strain phase diagram of (110)-oriented PbTiO3 (PTO) thin films by phase-field simulations. The evolutions of ferroelectric phase structures, domain morphologies, volume fractions, and polarization components with the anisotropic strains were analyzed in detail. Large anisotropic strains exist between the orthorhombic scandate substrates and (110)-oriented PTO films, which makes it possible to engineer the structures and properties by anisotropic strain. These results deepen the understanding of ferroelectric domain structures of (110)-oriented PTO films under the anisotropic strain and provide theoretical support for the anisotropic strain engineering of high-index thin films experimentally.","PeriodicalId":515723,"journal":{"name":"Microstructures","volume":"46 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139442266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-08DOI: 10.20517/microstructures.2023.64
Cuihua An, Shikang Wang, Liyang Lin, Xiangyan Ding, Qibo Deng, Ning Hu
Lithium (Li)-ion batteries have become one of the main energy sources for electric vehicles and energy storage systems, which puts forward higher requirements for the detection of battery state of health (SOH). The SOH of batteries is crucial for areas such as battery management and renewable energy storage. Accurately evaluating the SOH of batteries can optimize charging and discharging strategies and extend battery life. Therefore, accurately and effectively monitoring the SOH of Li batteries is of great significance. An ultrasonic testing technology has been proposed that can non-destructively test the Li battery SOH, enabling accurate judgment of batteries in poor or damaged conditions. Firstly, the hetero-structured MnO2-Au has been constructed as the anode for Li-ion batteries. MnO2-Au heterojunction enhances electronic conductivity and ion conductivity. The MnO2-Au has exhibited high specific capacity and superior rate performances, which can well satisfy the ultrasonic inspection of the battery. Then, the ultrasonic testing has been conducted on batteries with different ages. The results suggest that batteries with short circuits have the highest nonlinear coefficient, while batteries with short circuits after long cycles have the lowest nonlinear coefficient. The nonlinear coefficient of batteries with different charging and discharging states is in the middle.
{"title":"Construction and ultrasonic inspection of the high-capacity Li-ion battery based on the MnO2 decorated by Au nanoparticles anode","authors":"Cuihua An, Shikang Wang, Liyang Lin, Xiangyan Ding, Qibo Deng, Ning Hu","doi":"10.20517/microstructures.2023.64","DOIUrl":"https://doi.org/10.20517/microstructures.2023.64","url":null,"abstract":"Lithium (Li)-ion batteries have become one of the main energy sources for electric vehicles and energy storage systems, which puts forward higher requirements for the detection of battery state of health (SOH). The SOH of batteries is crucial for areas such as battery management and renewable energy storage. Accurately evaluating the SOH of batteries can optimize charging and discharging strategies and extend battery life. Therefore, accurately and effectively monitoring the SOH of Li batteries is of great significance. An ultrasonic testing technology has been proposed that can non-destructively test the Li battery SOH, enabling accurate judgment of batteries in poor or damaged conditions. Firstly, the hetero-structured MnO2-Au has been constructed as the anode for Li-ion batteries. MnO2-Au heterojunction enhances electronic conductivity and ion conductivity. The MnO2-Au has exhibited high specific capacity and superior rate performances, which can well satisfy the ultrasonic inspection of the battery. Then, the ultrasonic testing has been conducted on batteries with different ages. The results suggest that batteries with short circuits have the highest nonlinear coefficient, while batteries with short circuits after long cycles have the lowest nonlinear coefficient. The nonlinear coefficient of batteries with different charging and discharging states is in the middle.","PeriodicalId":515723,"journal":{"name":"Microstructures","volume":"37 19","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139446289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.20517/microstructures.2023.51
Jingnan Zhang, Tong-Dan. Tang, Rongge Yang, Guilin Wang, Kai-Hang Ye, Jianxin Shi
Photocatalysis (PC) and photoelectric catalysis (PEC) are environmental protection technologies that use sunlight capacity and environmental governance, and they have a wide range of applications in hydrogen production, carbon dioxide reduction, organic degradation, and other fields. When the light is irradiated on the material, part of the light energy will be converted into heat energy, and the combination of this part of the heat energy with PC and PEC will become an important way to improve optical performance. Compared with traditional technology, the synergistic effect of light and heat can obtain higher catalytic performance and improve energy utilization efficiency. This review begins with an overview of the principle of photoheat generation, which produces heat energy in a non-radiative process through photo-induced instability of electrons. The principle of thermal effect on the performance improvement of PC/PEC is analyzed from the dynamics and thermodynamics of photoreaction and electric reaction. On this basis, several materials widely used at present are listed, such as oxides, plasmas, conductive polymers, carbon materials, and other typical photothermal materials. The specific applications of photothermal materials in PC and PEC processes, such as hydrogen production by oxidation, carbon dioxide reduction, organic matter reduction, and seawater desalination, were discussed. Finally, the challenges to PC/PEC from the introduction of thermal effects are further discussed to provide a clean and sustainable way to build a carbon-neutral society.
光催化（PC）和光电催化（PEC）是利用阳光能力和环境治理的环保技术，在制氢、二氧化碳还原、有机物降解等领域有着广泛的应用。当光照射在材料上时，部分光能将转化为热能，将这部分热能与 PC 和 PEC 结合将成为提高光学性能的重要途径。与传统技术相比，光和热的协同效应可以获得更高的催化性能，提高能源利用效率。本综述首先概述了光热产生的原理，即通过光诱导电子的不稳定性在非辐射过程中产生热能。从光反应和电反应的动力学和热力学角度分析了热效应对提高 PC/PEC 性能的原理。在此基础上，列举了目前广泛应用的几种材料，如氧化物、等离子体、导电聚合物、碳材料和其他典型的光热材料。讨论了光热材料在 PC 和 PEC 过程中的具体应用，如氧化制氢、二氧化碳还原、有机物还原和海水淡化。最后，进一步讨论了引入热效应给 PC/PEC 带来的挑战，以便为建设碳中和社会提供一种清洁、可持续的方式。
{"title":"Photothermal effect and application of photothermal materials in photocatalysis and photoelectric catalysis","authors":"Jingnan Zhang, Tong-Dan. Tang, Rongge Yang, Guilin Wang, Kai-Hang Ye, Jianxin Shi","doi":"10.20517/microstructures.2023.51","DOIUrl":"https://doi.org/10.20517/microstructures.2023.51","url":null,"abstract":"Photocatalysis (PC) and photoelectric catalysis (PEC) are environmental protection technologies that use sunlight capacity and environmental governance, and they have a wide range of applications in hydrogen production, carbon dioxide reduction, organic degradation, and other fields. When the light is irradiated on the material, part of the light energy will be converted into heat energy, and the combination of this part of the heat energy with PC and PEC will become an important way to improve optical performance. Compared with traditional technology, the synergistic effect of light and heat can obtain higher catalytic performance and improve energy utilization efficiency. This review begins with an overview of the principle of photoheat generation, which produces heat energy in a non-radiative process through photo-induced instability of electrons. The principle of thermal effect on the performance improvement of PC/PEC is analyzed from the dynamics and thermodynamics of photoreaction and electric reaction. On this basis, several materials widely used at present are listed, such as oxides, plasmas, conductive polymers, carbon materials, and other typical photothermal materials. The specific applications of photothermal materials in PC and PEC processes, such as hydrogen production by oxidation, carbon dioxide reduction, organic matter reduction, and seawater desalination, were discussed. Finally, the challenges to PC/PEC from the introduction of thermal effects are further discussed to provide a clean and sustainable way to build a carbon-neutral society.","PeriodicalId":515723,"journal":{"name":"Microstructures","volume":"25 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140522306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.20517/microstructures.2023.69
Yang Gao, Shuang Li, Yuelei Zhao, Zhaozhao Zhu, Linyu Cao, Jiawang Xu, Yan Zhou, Shouguo Wang
Three-dimensional (3D) topological magnetic structures have attracted enormous interest due to their exceptional spatial structures and intriguing physics. Hopfions, characterized by the Hopf index, are 3D spin textures that emerged as closed twisted skyrmion strings. A comprehensive understanding of magnetic structural transitions within nanostructures is crucial for their applications in spintronics devices. Despite the demonstration of stabilization and current-driven dynamics of hopfion, their behavior in geometric confinement has remained unexplored. Here, we investigate the transformation between hopfions and torons in various nanostructures using micromagnetic simulations. By tailoring the axial ratio of elliptical nanodisks, the elliptical hopfion is found to be transformed into a toron structure. Moreover, the current-driven topological transformation between hopfion and toron has also been realized in finite-sized nanostripes and stepped nanostructures. This deformation and transformation arise from the repulsive potential of the boundaries or edges. To connect real-space observations and 3D topological spin configurations, we simulate the Lorentz transmission electron microscope images of the aforementioned magnetic structures. This study, uncovering the dynamics and transformation of hopfions, will invigorate 3D magnetic structures-based memory and logic devices.
{"title":"Topological transformation of magnetic hopfion in confined geometries","authors":"Yang Gao, Shuang Li, Yuelei Zhao, Zhaozhao Zhu, Linyu Cao, Jiawang Xu, Yan Zhou, Shouguo Wang","doi":"10.20517/microstructures.2023.69","DOIUrl":"https://doi.org/10.20517/microstructures.2023.69","url":null,"abstract":"Three-dimensional (3D) topological magnetic structures have attracted enormous interest due to their exceptional spatial structures and intriguing physics. Hopfions, characterized by the Hopf index, are 3D spin textures that emerged as closed twisted skyrmion strings. A comprehensive understanding of magnetic structural transitions within nanostructures is crucial for their applications in spintronics devices. Despite the demonstration of stabilization and current-driven dynamics of hopfion, their behavior in geometric confinement has remained unexplored. Here, we investigate the transformation between hopfions and torons in various nanostructures using micromagnetic simulations. By tailoring the axial ratio of elliptical nanodisks, the elliptical hopfion is found to be transformed into a toron structure. Moreover, the current-driven topological transformation between hopfion and toron has also been realized in finite-sized nanostripes and stepped nanostructures. This deformation and transformation arise from the repulsive potential of the boundaries or edges. To connect real-space observations and 3D topological spin configurations, we simulate the Lorentz transmission electron microscope images of the aforementioned magnetic structures. This study, uncovering the dynamics and transformation of hopfions, will invigorate 3D magnetic structures-based memory and logic devices.","PeriodicalId":515723,"journal":{"name":"Microstructures","volume":"4 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139394196","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.20517/microstructures.2023.63
Xingyu Zhang, Youquan Liu, Naizheng Wang, Xingxing Jiang, Zheshuai Lin
Materials with negative/zero area compressibility (NAC or ZAC), which expand or keep constant along two directions under hydrostatic pressure, are very rare but of great scientific and engineering merits. Here, we investigate “wine-rack” architecture, which is the most prevailing for the pressure-expansion effect in materials, and identify that two allotropes (Ag3BO3-I and -II ) of Ag3BO3 have the ZAC and NAC effects, respectively, by the first-principles calculations. Structural analysis discloses that the competition between the contraction effect from the bond length/angle shrinkage and the expansion effect from the angle closing between O-Ag-O bars and the (a , b ) plane dominates the occurrence of ZAC/NAC, and the framework openness governs the competing balance in this system. This work deepens the understanding of “wine-rack” models and enriches the NAC/ZAC family.
{"title":"First-principles study on the negative/zero area compressibility in Ag3BO3 with “wine-rack” architecture","authors":"Xingyu Zhang, Youquan Liu, Naizheng Wang, Xingxing Jiang, Zheshuai Lin","doi":"10.20517/microstructures.2023.63","DOIUrl":"https://doi.org/10.20517/microstructures.2023.63","url":null,"abstract":"Materials with negative/zero area compressibility (NAC or ZAC), which expand or keep constant along two directions under hydrostatic pressure, are very rare but of great scientific and engineering merits. Here, we investigate “wine-rack” architecture, which is the most prevailing for the pressure-expansion effect in materials, and identify that two allotropes (Ag3BO3-I and -II ) of Ag3BO3 have the ZAC and NAC effects, respectively, by the first-principles calculations. Structural analysis discloses that the competition between the contraction effect from the bond length/angle shrinkage and the expansion effect from the angle closing between O-Ag-O bars and the (a , b ) plane dominates the occurrence of ZAC/NAC, and the framework openness governs the competing balance in this system. This work deepens the understanding of “wine-rack” models and enriches the NAC/ZAC family.","PeriodicalId":515723,"journal":{"name":"Microstructures","volume":" 16","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139392614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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