Physica E-low-dimensional Systems & Nanostructures最新文献

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Tunable magnetic and electronic properties in In2Se3/ScO2 van der Waals heterostructure induced by the vertical strain and electric field 垂直应变和电场诱导下In2Se3/ScO2范德华异质结构的可调磁性和电子性能
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-24 DOI: 10.1016/j.physe.2025.116322
Jia-Jian He, Qin Zhang, Yi-Fan Gao, Yu Zhang, Jia Liu, Dan Wu, Zhi-Qiang Fan, Xiao-Qing Deng
{"title":"Tunable magnetic and electronic properties in In2Se3/ScO2 van der Waals heterostructure induced by the vertical strain and electric field","authors":"Jia-Jian He,&nbsp;Qin Zhang,&nbsp;Yi-Fan Gao,&nbsp;Yu Zhang,&nbsp;Jia Liu,&nbsp;Dan Wu,&nbsp;Zhi-Qiang Fan,&nbsp;Xiao-Qing Deng","doi":"10.1016/j.physe.2025.116322","DOIUrl":"10.1016/j.physe.2025.116322","url":null,"abstract":"<div><div>In this work, we studied the electronic and magnetic properties of In<sub>2</sub>Se<sub>3</sub>/ScO<sub>2</sub> van der Waals (vdW) heterojunctions using the first-principles calculations. The Young's modulus (Y) and Poisson's ratio (υ) of heterojunctions are obvious anisotropy and show potential application in flexible nanoelectronic devices. Computational analysis shows that In<sub>2</sub>Se<sub>3</sub> as a nonmagnetic semiconductor, while ScO<sub>2</sub> manifests bipolar magnetic semiconducting behavior. Notably, In<sub>2</sub>Se<sub>3</sub> exhibits spin splitting and a small magnetic moment at the Se atoms near the interface. When the electric dipole is oriented from ScO<sub>2</sub> to In<sub>2</sub>Se<sub>3</sub>, the heterojunction becomes a dual-polarized magnetic semiconductor, with the conduction band minimum (CBM) and valence band maximum (VBM) originating from different spin states. A type-II band alignment emerges between the two monolayers, with staggered valence and conduction bands across the interface, enhancing carrier dissociation. Moreover, the electronic and magnetic characteristics of the heterostructure can be dynamically modulated by mechanical strain and electric fields (<em>E</em><sub>ext</sub>). A positive <em>E</em><sub>ext</sub> eliminates In<sub>2</sub>Se<sub>3</sub>'s magnetism, while a negative <em>E</em><sub>ext</sub> induces magnetism at the edge of this monolayer, especially in the Se<sub>3</sub> atomic layer due to electronegativity differences and the weak built-in electric field. The strain can regulate the magnetic properties of heterojunction obviously, the changed magnetic moment of monolayers increases quickly with the raising compressive strain, and decreases gradually with rising interlayer distance.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116322"},"PeriodicalIF":2.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144490278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhancing carrier mobility in two-dimensional B2Se3 through strain engineering and van der Waals heterostructures 通过应变工程和范德华异质结构增强二维B2Se3载流子迁移率
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-20 DOI: 10.1016/j.physe.2025.116318
Menghao Bi, Cheng Zhang, Jie Wang, Zhengbo Zhao, Mengxue Liu, Fang Wu
{"title":"Enhancing carrier mobility in two-dimensional B2Se3 through strain engineering and van der Waals heterostructures","authors":"Menghao Bi,&nbsp;Cheng Zhang,&nbsp;Jie Wang,&nbsp;Zhengbo Zhao,&nbsp;Mengxue Liu,&nbsp;Fang Wu","doi":"10.1016/j.physe.2025.116318","DOIUrl":"10.1016/j.physe.2025.116318","url":null,"abstract":"<div><div>Two-dimensional (2D) materials show great promise for integrated circuits due to their unique electronic properties, but enhancing carrier mobility remains a key challenge for developing high-performance devices. This study explores the external modulation of carrier mobility in 2D B<sub>2</sub>Se<sub>3</sub> through mechanical strain and van der Waals (vdW) heterostructures. Applying 4 % strain along ε<sub>x</sub> increased hole mobility from 59.45 to 36,044.72 cm<sup>2</sup>V<sup>−1</sup>s<sup>−1</sup>, attributed to reduced hole-phonon coupling and flattened energy bands near the valence band maximum. Additionally, a B<sub>2</sub>Se<sub>3</sub>/CS vdW heterostructure achieved electron mobility of 2154.08 cm<sup>2</sup>V<sup>−1</sup>s<sup>−1</sup>, up from 1227.74 cm<sup>2</sup>V<sup>−1</sup>s<sup>−1</sup> in pristine 2D B<sub>2</sub>Se<sub>3</sub>, due to an increased elastic modulus. These findings highlight the tunability of carrier mobility in 2D B<sub>2</sub>Se<sub>3</sub>, offering new opportunities for advanced electronic and optoelectronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116318"},"PeriodicalIF":2.9,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fano–Rashba effect in the presence of Majorana bound states 法诺-拉什巴效应在马约拉纳束缚州的存在
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-16 DOI: 10.1016/j.physe.2025.116306
B. Grez , J.P. Ramos-Andrade , P.A. Orellana
{"title":"Fano–Rashba effect in the presence of Majorana bound states","authors":"B. Grez ,&nbsp;J.P. Ramos-Andrade ,&nbsp;P.A. Orellana","doi":"10.1016/j.physe.2025.116306","DOIUrl":"10.1016/j.physe.2025.116306","url":null,"abstract":"<div><div>In this paper, we investigate the influence of Majorana bound states on the Fano–Rashba effect in a two-channel Fano–Anderson model. Employing Green’s function formalism and the equation of motion method, we compute the transmission through the quantum dot and the density of states. Our analysis reveals that the Majorana bound states, localized at the ends of the topological superconductor nanowire, penetrate into the quantum dot and interact with the bound states in the continuum, thereby altering the interference pattern in the electronic transmission profile. Furthermore, we explore the robustness of the bound state in the continuum concerning its connection to Majorana bound states and the energy induced by the perpendicular component of the magnetic field. We posit that our findings contribute to a deeper comprehension of the Fano–Rashba effect in a two-channel quantum dot coupled to a topological superconducting nanowire.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116306"},"PeriodicalIF":2.9,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144306396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The influence of contact interfaces on transport statistics in field-effect transistors based on highly-doped InAs nanowires 高掺杂InAs纳米线场效应晶体管中接触界面对输运统计的影响
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-14 DOI: 10.1016/j.physe.2025.116309
A.A. Zhukov
{"title":"The influence of contact interfaces on transport statistics in field-effect transistors based on highly-doped InAs nanowires","authors":"A.A. Zhukov","doi":"10.1016/j.physe.2025.116309","DOIUrl":"10.1016/j.physe.2025.116309","url":null,"abstract":"<div><div>The magnetotransport measurements including mapping with scanning gate microscopy technique were done on field-effect transistors based on highly doped InAs nanowires. Two different transport regimes at high and low current carrier concentration were observed. The crucial influence of the blocking barriers in contact interfaces on statistics of universal conductance fluctuations is revealed and investigated.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116309"},"PeriodicalIF":2.9,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lateral electric field promotes the water transport in double-walled carbon nanotubes 横向电场促进双壁碳纳米管中水的输运
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-13 DOI: 10.1016/j.physe.2025.116314
Yiqiu Ru , Zi Wang , Tao Zhang , Keda Yang , Jiaye Su
{"title":"Lateral electric field promotes the water transport in double-walled carbon nanotubes","authors":"Yiqiu Ru ,&nbsp;Zi Wang ,&nbsp;Tao Zhang ,&nbsp;Keda Yang ,&nbsp;Jiaye Su","doi":"10.1016/j.physe.2025.116314","DOIUrl":"10.1016/j.physe.2025.116314","url":null,"abstract":"<div><div>A lateral electric field typically impedes the water transport in single-walled carbon nanotubes (SWCNTs), because it disrupts the hydrogen bond network among confined water molecules. In this work, through a series of molecular dynamics simulations, we observe an opposite phenomenon in double-walled carbon nanotubes (DWCNTs): the lateral electric field promotes the water transport. The underlying mechanism is that the hydrogen bond network can be partially breakdown by the lateral electric field, thereby melting the ice-like structures in DWCNTs, which facilitates water transport. Meanwhile, for the confined cylinder monolayer water, enhanced rotational motion under stronger field strengths can be more efficiently converted into translational motion. Specifically, as the field strength increases, the water flow increases almost linearly, corresponding to the decay in hydrogen bond number. With the increase in CNT length, the water flow exhibits a linear reduction and reaches completely zero at weak field strengths because of the formation of ice structures in long CNTs. Some other parameters, such as translocation time, occupancy number, and dipole and density distributions also show a specific dependence on the field strength and CNT length. These findings enrich our understanding of the unusual dynamics of water molecules in DWCNTs and shed light on a new idea for the design of novel nanofluidic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116314"},"PeriodicalIF":2.9,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144279264","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A new decoupling strategy for strain and doping in wrinkled CVD graphene with total effective strain evaluation 褶皱CVD石墨烯中应变与掺杂的解耦策略及总有效应变评估
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-12 DOI: 10.1016/j.physe.2025.116311
Omar M. Dawood , Mahir N. Thameel , Alaa A. Al-Jobory , Sundus Alzuhairi
{"title":"A new decoupling strategy for strain and doping in wrinkled CVD graphene with total effective strain evaluation","authors":"Omar M. Dawood ,&nbsp;Mahir N. Thameel ,&nbsp;Alaa A. Al-Jobory ,&nbsp;Sundus Alzuhairi","doi":"10.1016/j.physe.2025.116311","DOIUrl":"10.1016/j.physe.2025.116311","url":null,"abstract":"<div><div>The determination of strain levels in chemical vapor deposition (CVD) graphene is essential to maximize its electronic and optoelectronic applications. The combination of Raman shift effects with doping effects creates difficulties when attempting to precisely extract accurate deformation-related measurements. This research decouples strain from doping using Kelvin Probe Force Microscopy (KPFM), Raman spectroscopy, and high-resolution strain mapping. The research methodology allows precise mechanical strain measurement by properly distinguishing Raman shift effects from doping to enhance strain detection precision. Surface potential difference measured by KPFM enables determination of doping concentration values. Calibration factors applied to G-band and 2D-band Raman shifts enable the removal of doping effects so actual mechanical strain values become accessible. The Raman-derived in-plane strain measurement ranges from −0.34 % to −0.53 % for the G-band and −0.35 % to −0.67 % for the 2D-band. Substrate-induced distortions and wrinkle-induced out-of-plane deformations create compressive residual strain which is confirmed through curvature analysis and AFM topography measurements. The analysis from polarized Raman spectroscopy demonstrates that strain components for tension and compression follow the orientations of the wrinkles and deformations in the material. This advanced strain-doping decoupling method creates an exact measurement method to determine true graphene strain which may help accelerate use of strained graphene in electronic and optoelectronic devices and flexible systems as well as sensors.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116311"},"PeriodicalIF":2.9,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144306395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Double-layer silicene nanoribbons controlled by carbon atoms: doping, adsorption, embedding 碳原子控制的双层硅纳米带:掺杂、吸附、包埋
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-11 DOI: 10.1016/j.physe.2025.116313
Linhan He, Lijun Wu, Ya Liu, Shuting Zhang, Hailu Xu
{"title":"Double-layer silicene nanoribbons controlled by carbon atoms: doping, adsorption, embedding","authors":"Linhan He,&nbsp;Lijun Wu,&nbsp;Ya Liu,&nbsp;Shuting Zhang,&nbsp;Hailu Xu","doi":"10.1016/j.physe.2025.116313","DOIUrl":"10.1016/j.physe.2025.116313","url":null,"abstract":"<div><div>In recent years, due to their compatibility with the mature silicon-based semiconductor industry, new silicene materials have attracted much attention due to their rational design and synthesis. This paper uses the SCC-DFTB method to study the effects of doping, adsorption and embedding carbon atoms on the electronic properties of double-layer silicene nanoribbons (SiNRs). The addition of carbon atoms causes significant changes in the geometric structure and energy band structure of SiNRs.Among them, under the three control methods, the structural stability and electronic properties of SiNRs are closely related to the concentration and position of carbon atoms. The band gap (Eg) increases or decreases regularly, and the electronic properties change from semiconductor to metal. The charge transfer trend after controlling three C atoms is also very different. The carbon atoms gain electrons (charge&gt; 4.0), and the surrounding Si atoms lose electrons. These changes are due to the redistribution of charge. The p-orbital of silicon makes the main contribution, and the p-orbital of carbon makes a weak contribution. The concentration of carbon atoms can regulate the degree of hybridization. Introducing carbon atoms can be an accurate tool to effectively regulate the electronic properties of SiNRs, which can be used to customize the electronic properties of SiNRs and promote their application in the next generation of nanoelectronics and optoelectronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116313"},"PeriodicalIF":2.9,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144271225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Multifunctional metamaterials based on VO2 for realizing dual-band absorption, cross-polarization conversion and asymmetric transmission 基于VO2的多功能超材料,实现双波段吸收、交叉极化转换和不对称传输
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-09 DOI: 10.1016/j.physe.2025.116312
Youjing Sun, Haorui Yang, Ying Zhu, Bin Tang
{"title":"Multifunctional metamaterials based on VO2 for realizing dual-band absorption, cross-polarization conversion and asymmetric transmission","authors":"Youjing Sun,&nbsp;Haorui Yang,&nbsp;Ying Zhu,&nbsp;Bin Tang","doi":"10.1016/j.physe.2025.116312","DOIUrl":"10.1016/j.physe.2025.116312","url":null,"abstract":"<div><div>In this work, we theoretically and numerically demonstrate a vanadium dioxide (VO<sub>2</sub>)-based multifunctional metamaterial capable of dynamically switching between diverse operational modes in the terahertz band. By exploiting the unique phase-transition properties of VO<sub>2</sub>, the presented metamaterial can achieve multiple tunable functionalities, including perfect absorption, cross-polarization conversion and asymmetric transmission (AT). When VO<sub>2</sub> is in the metallic state, the metamaterial acts as a dual-band perfect absorber with wide-angle and polarization insensitivity characteristics. Meanwhile, the metamaterial serves as a polarization converter, which can fulfill linear-to-linear (LTL) and linear-to-circular (LTC) polarization conversion. Specifically, the LTL polarization conversion rate reaches ∼100 % at 2.19 THz and 2.94 THz. And the ellipticity of the LTC polarization conversion is ±1 at the frequency range of 2.37–2.66 THz as well as the frequency points of 2.09 THz and 3.13 THz, indicating that the linear polarized waves can be completely converted into circularly polarized waves. Moreover, when VO<sub>2</sub> is in its insulating phase, the designed metamaterial exhibits an AT effect with an efficiency of 0.71. This innovative design offers valuable insights for the potential applications of multifunctional optoelectronic devices in the terahertz region.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116312"},"PeriodicalIF":2.9,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144262929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Trion and exciton superfluidity induced by the electron Fermi Sea 费米海电子诱导的Trion和激子超流动性
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-07 DOI: 10.1016/j.physe.2025.116310
Xuebing Gong , Huying Zheng , Xianghu Wang , Yue Wang , Dezhen Shen , Hai Zhu
{"title":"Trion and exciton superfluidity induced by the electron Fermi Sea","authors":"Xuebing Gong ,&nbsp;Huying Zheng ,&nbsp;Xianghu Wang ,&nbsp;Yue Wang ,&nbsp;Dezhen Shen ,&nbsp;Hai Zhu","doi":"10.1016/j.physe.2025.116310","DOIUrl":"10.1016/j.physe.2025.116310","url":null,"abstract":"<div><div>The research of quantum many-body physics has always been regarded as an important goal of semiconductor strongly coupled microcavity systems. Here, we investigate the interaction mechanism between excitons and electrons in the Fermi Sea. In this case, the exciton-electron interaction can support a new bound state, i.e., trion, and the polariton is dressed by the polarization wave of the electron Fermi Sea, forming an exciton-polaron polariton (polaron-polariton). Meanwhile, the exciton-electron interaction renormalizes the energy and mass of the polariton and reduces the conditions for Bose-Einstein Condensation (BEC) and Kosterlitz-Thouless (KT) transition temperature occurrence. And the superfluid temperature always increases with the exciton-exciton scattering length. In addition, the spectral function, effective mass, scattering rate, KT transition temperature, response function, and conductivity of the polaron-polariton have been calculated in detail by using the Green's function. Our results provide a promising outlook for study the quantum many-body physics and strongly coupled Bose systems.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116310"},"PeriodicalIF":2.9,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144254307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural stability and multiple dynamic behaviors of aluminum nanostructures encapsulated in carbon nanotubes 碳纳米管封装铝纳米结构的结构稳定性和多重动力学行为
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-06-02 DOI: 10.1016/j.physe.2025.116308
Jianan Yuan , Chi Ding , Jianfu Li , Yong Liu , Jiani Lin , Xiaoli Wang
{"title":"Structural stability and multiple dynamic behaviors of aluminum nanostructures encapsulated in carbon nanotubes","authors":"Jianan Yuan ,&nbsp;Chi Ding ,&nbsp;Jianfu Li ,&nbsp;Yong Liu ,&nbsp;Jiani Lin ,&nbsp;Xiaoli Wang","doi":"10.1016/j.physe.2025.116308","DOIUrl":"10.1016/j.physe.2025.116308","url":null,"abstract":"<div><div>Carbon nanotubes offer one-dimensional nanoconfinement space for metals, resulting in functional materials with novel physical properties. In this study, we successfully predicted a one-dimensional stable structure of aluminum confined within Carbon nanotubes using the MAGUS confined space search method. According to the phonon spectrum, this configuration is mechanically stable at ambient pressure and temperature. However, when the temperature reaches 350 K, aluminum atoms exhibit rotational and translational collective motions, eventually escaping from the open-boundary nanotube. By calculating the diffusion energy barrier of the aluminum, we elucidated the mechanism underlying these collective motion patterns. Through band structure calculations, we discovered strong orbital hybridization between aluminum and Carbon nanotubes. Our research reveals the stable form and unique dynamic and electrical properties of aluminum metal in Carbon nanotubes, providing new insights for the study of metal- Carbon nanotube composites.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116308"},"PeriodicalIF":2.9,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212139","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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