Physica E-low-dimensional Systems & Nanostructures最新文献_第10页

Unique electronic and optical properties of ABBA tetralayer graphene under external electric fields ABBA 四层石墨烯在外电场作用下的独特电子和光学特性

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-06-13 DOI: 10.1016/j.physe.2024.116031

Chiun-Yan Lin , Jing-Yuan Ko , Meng-En Lee , Yung-Chia Wang , Chih-Wei Chiu

{"title":"Unique electronic and optical properties of ABBA tetralayer graphene under external electric fields","authors":"Chiun-Yan Lin , Jing-Yuan Ko , Meng-En Lee , Yung-Chia Wang , Chih-Wei Chiu","doi":"10.1016/j.physe.2024.116031","DOIUrl":"https://doi.org/10.1016/j.physe.2024.116031","url":null,"abstract":"<div><p>In this study, we examine the electronic and optical properties of ABBA-stacked tetralayer graphene (4LG), emphasizing its unique characteristics in contrast to its counterparts. The full tight-binding model elucidates the significance of interlayer couplings in the system. We investigate the influence of gate voltage on the system and uncover alterations in the band structure, the emergence of edge states, and the formation of band gaps. The analysis of the density of states reveals the existence of van Hove singularities, which dynamically evolve with the changing gate voltage, resulting in a transition from semimetallic to semiconductor properties. The optical absorption spectrum demonstrates asymmetrical peaks and step-like structures, further affected by a potential difference. Under a finite electric field, optical excitations in gated 4LG reveal triangular isoenergy loops with significant interaction-induced distortions of up to 100 meV. This study anticipates the potential for tuning optical properties in ABBA-stacked 4LG through external electric fields, offering opportunities for experimental exploration.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"163 ","pages":"Article 116031"},"PeriodicalIF":2.9,"publicationDate":"2024-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141435149","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

Tunable dual-band composite metasurface absorber in the mid-infrared region based on LSPs-SPPs interaction 基于 LSPs-SPPs 相互作用的中红外区域可调谐双波段复合超表面吸收器

IF 3.3 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-06-11 DOI: 10.1016/j.physe.2024.116029

Shengyi Wang , Lei Wang , Hao Luo , Hua Ge , Xiang Li , Shi Pu , Bowen Jia

{"title":"Tunable dual-band composite metasurface absorber in the mid-infrared region based on LSPs-SPPs interaction","authors":"Shengyi Wang , Lei Wang , Hao Luo , Hua Ge , Xiang Li , Shi Pu , Bowen Jia","doi":"10.1016/j.physe.2024.116029","DOIUrl":"https://doi.org/10.1016/j.physe.2024.116029","url":null,"abstract":"<div><p>Mid-infrared (MIR) region includes many important fingerprint signals about of particular chemical molecules and functional groups, which is an important band for compact optical sensing system. Controlling the localized surface plasmons (LSPs) and surface plasmon polariton (SPP) modes is an effective approach to achieving perfect absorption in plasmonic metasurfaces. In this work, we systematically investigate the interaction between LSP and SPP within a composite plasmonic metasurface absorber, as well as the impact of this interaction on its absorption characteristics. The absorber achieves absorptivity 99.2 % at 2.39 μm and 98.8 % at 3.61 μm. The detailed absorption mechanism and tunability of the absorber are discussed associated with a physical model based on quantum electron dynamics (QED) theory. Our analysis also explores the effect of incident angle, identifying a Rabi splitting at 40° and 3.61 μm due to the interaction between cavity modes and LSPs, while the absorption peak at 2.39 μm experiences a redshift with an increasing angle. These peaks show minimal dependence on the polarization angles of incident light. Furthermore, we investigate the impact of the SiO<sub>2</sub> spacer's refractive index using an admittance model, observing a redshift in the absorption peaks with an increase in refractive index. Our findings not only introduce a metasurface absorber for the MIR spectrum, applicable in sensing and detection, but also establish a foundation for further research.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"163 ","pages":"Article 116029"},"PeriodicalIF":3.3,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141314469","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

Controllable antiresonance and low-bias negative differential conductance in T-shaped double dots with electron–phonon interaction 具有电子-声子相互作用的 T 形双点中的可控反谐振和低偏置负差分电导

IF 3.3 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-06-10 DOI: 10.1016/j.physe.2024.116014

Kai-Hua Yang , Hong-Wei Guo , Huai-Yu Wang , Zi-Jia Wei , Xiao-Hui Liang

{"title":"Controllable antiresonance and low-bias negative differential conductance in T-shaped double dots with electron–phonon interaction","authors":"Kai-Hua Yang , Hong-Wei Guo , Huai-Yu Wang , Zi-Jia Wei , Xiao-Hui Liang","doi":"10.1016/j.physe.2024.116014","DOIUrl":"https://doi.org/10.1016/j.physe.2024.116014","url":null,"abstract":"<div><p>Controlling the quantum interference in nanoscaled systems has potential application for the realization of high-performance functional devices. In this work, the quantum interference of a T-shaped double-quantum-dot system is studied in detail by evaluation of differential conductance by means of nonequilibrium Green’s function method. The factors of Coulomb interaction in Luttinger liquid leads, electron–phonon interaction, interdot tunneling, and dot-lead coupling are taken into account. In the differential conductance curve, there appear a series of antiresonance dips due to phonon-assisted destructive interference when the interdot tunneling is weak, and they can coexist with zero-bias antiresonance dip. When the dot-lead couplings are asymmetric, both the antiresonance dip and Fano line shape dip can occur for strong dot-lead coupling. Our results also show the coexistence of low-bias negative differential conductance and Fano antiresonance, as a manifestation of the interplay between strong intralead Coulomb interaction and weak dot-lead coupling. These interference phenomena emerged in a relatively simple model promises helpful guidance for controlling over the electrical performance of interference-based molecular devices.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"163 ","pages":"Article 116014"},"PeriodicalIF":3.3,"publicationDate":"2024-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141325697","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

First principles study on the electronic structure and optical properties of Janus WSeTe with defects and strains 带有缺陷和应变的 Janus WSeTe 电子结构和光学特性的第一性原理研究

IF 3.3 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-06-10 DOI: 10.1016/j.physe.2024.116030

Shaorong Li , Chengfu Zhang , Chengyue Wang , You Xie , Hao Wang , Dongwei Qiao , Xiaozhi Wu , Chuhan Cao , Lin Zhang , Huan Wu

{"title":"First principles study on the electronic structure and optical properties of Janus WSeTe with defects and strains","authors":"Shaorong Li , Chengfu Zhang , Chengyue Wang , You Xie , Hao Wang , Dongwei Qiao , Xiaozhi Wu , Chuhan Cao , Lin Zhang , Huan Wu","doi":"10.1016/j.physe.2024.116030","DOIUrl":"https://doi.org/10.1016/j.physe.2024.116030","url":null,"abstract":"<div><p>A Janus monolayer can be described as a two-dimensional material with distinct anions on either side of each layer. Two of these distinct chalcogen atoms are situated in the mirror-symmetric lattice positions of the transition metal atoms and are referred to as Janus transition metal dichalcogenides (TMDs). This material breaks the out-of-plane mirror symmetry and thus has excellent properties not found in conventional TMDs. However, during material synthesis, it can generate a number of defects that can substantially alter its properties. Therefore, in this article, the changes in the electronic structure and optical properties of Janus WSeTe when generating single vacancy defects, double vacancy defects and antisite defects have been investigated using first principles study. Assess the stability of the material through computations of its phonon spectrum, AIMD simulation and defect formation energy. Analyse its bandstructure, projected density of states, and optical absorption coefficient to present the change in its properties. The results show that the easiest and most stable form of defect is the substitution of Se atom for Te atom. These defect types change the bandgap value in different ways in Janus WSeTe, which further changes the peak optical absorption coefficient. The lattice constants undergo alterations during the defect generation process. For this purpose, we also investigated the changes in the properties of Janus WSeTe and its defects when subjected to biaxial tensile and compressive strains ranging from −9% to 9 %. As the tensile and compressive strains increase, a gradual decrease in the band gap value is observed. Our findings may serve as a theoretical basis for experiments in the synthesis of Janus WSeTe and the development of electronic devices using monolayer Janus WSeTe.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"163 ","pages":"Article 116030"},"PeriodicalIF":3.3,"publicationDate":"2024-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141314470","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

Charge engineering in black phosphorene with tunable electronic structures as efficient oxygen evolution electrocatalyst 具有可调电子结构的黑色磷烯电荷工程作为高效氧进化电催化剂

IF 3.3 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-06-07 DOI: 10.1016/j.physe.2024.116013

Huating Liu , Zongyu Huang , Hui Qiao , Xiang Qi

{"title":"Charge engineering in black phosphorene with tunable electronic structures as efficient oxygen evolution electrocatalyst","authors":"Huating Liu , Zongyu Huang , Hui Qiao , Xiang Qi","doi":"10.1016/j.physe.2024.116013","DOIUrl":"https://doi.org/10.1016/j.physe.2024.116013","url":null,"abstract":"<div><p>The unique electronic structure of layered black phosphorus (BP) makes it an ideal candidate material for electrocatalytic oxygen evolution reaction (OER). Charge doping effectively improves the environmental stability and catalytic activity of BP by providing electron transfer channels and reducing charge transfer barrier. Therefore, based on the first principles calculation, this paper theoretically discusses how the intrinsic charge doping without introducing impurities changes the electronic structure and improves the catalytic activity of BP. It is found that charge engineering can effectively regulate and change the electronic structure and work function by stimulating the hybridization between different P-<em>p</em> orbitals, while maintaining the direct bandgap semiconductor characteristics of monolayer BP system. More importantly, in the catalytic process of OER, electrons and hole doping as free charges provide different donor and acceptor energy levels for the system depending on the doping concentration, and affect the adsorption capacity of monolayer BP to different reaction intermediates. At a certain doping concentration, the carrier mobility increases significantly, and the optimal Gibbs free energy and overpotential can be achieved in monolayer BP. These results provide new opportunities and possibilities for designing charge-engineered BP catalysts with adjustable electronic structure and excellent OER activity.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"163 ","pages":"Article 116013"},"PeriodicalIF":3.3,"publicationDate":"2024-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141297940","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 and electronic properties of AlGaN nanowires modulated by Al component and sectional size: A first principles study with DFT+U method AlGaN 纳米线的结构和电子特性受 Al 成分和截面尺寸的影响：用 DFT+U 方法进行的第一性原理研究

IF 3.3 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-06-03 DOI: 10.1016/j.physe.2024.116016

Yuyan Wang , Sihao Xia , Yu Diao , Hongkai Shi , Zhen Wang , Caixia Kan , Daning Shi

{"title":"Structural and electronic properties of AlGaN nanowires modulated by Al component and sectional size: A first principles study with DFT+U method","authors":"Yuyan Wang , Sihao Xia , Yu Diao , Hongkai Shi , Zhen Wang , Caixia Kan , Daning Shi","doi":"10.1016/j.physe.2024.116016","DOIUrl":"https://doi.org/10.1016/j.physe.2024.116016","url":null,"abstract":"<div><p>AlGaN nanowires have plenty of applications in optoelectronic functional devices. However, the electronic characteristics and stability of AlGaN nanowires are rarely explored, especially for an actual prediction of bandgaps with varying Al components. In this work, we utilize first principles calculation with DFT + U method to study the stability, charge redistribution, band structures, density of states of Al<sub><em>x</em></sub>Ga<sub>1-<em>x</em></sub>N alloy nanowires with <em>x</em> spanning from 0 to 1. The results indicate that the stability of the nanowire is enhanced with increasing nanowire diameter and Al component. The bond length in the outermost layer, vertical to the specified direction, is stretched as the Al component increases. The bandgap of nanowire is larger than that of bulk phase and the bowing parameter of nanowire is relatively low. According to the analysis of density of states (DOS), the migration of band structures is attributed to N-p states at VBM and Ga-s and Al-p states at CBM. The calculation of Crystal Orbital Hamilton Population (COHP) reveals the variation of bandgap with changing Al component and diameter. According to the analysis of electron density difference and charge transfer, Al atom has a stronger electron negativity and the electron density surrounding Ga is more delocalized compared Al atom. The results obtained in this study is expected to give some guidance for the preparation of optoelectronic devices based on AlGaN nanowires.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"163 ","pages":"Article 116016"},"PeriodicalIF":3.3,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141242348","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 mid-infrared ultra-wideband polarization-independent tunable perfect absorber based on Dirac metal materials 基于狄拉克金属材料的中红外超宽带偏振无关可调谐完美吸收器

IF 3.3 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-05-31 DOI: 10.1016/j.physe.2024.116026

Guolun Cheng, Bo Li, Bo Sun, Yingying Yu, Wenxing Yang

{"title":"A mid-infrared ultra-wideband polarization-independent tunable perfect absorber based on Dirac metal materials","authors":"Guolun Cheng, Bo Li, Bo Sun, Yingying Yu, Wenxing Yang","doi":"10.1016/j.physe.2024.116026","DOIUrl":"https://doi.org/10.1016/j.physe.2024.116026","url":null,"abstract":"<div><p>A mid-infrared ultra-wideband tunable terahertz absorber based on bulk Dirac semimetal (BDS) is presented. It has a simple three-layer structure: a top BDS metal layer, a middle dielectric layer, and a bottom reflective metal layer. The BDS layer was designed by creating a square cavity and a long rectangular cavity in the center of the BDS rectangle. The long rectangle was then rotated by 90° to form a centrosymmetric cavity. Using CST Studio Suite software, we numerically simulate the absorption characteristics. The simulation results indicate that the absorber achieves a high absorption (>90 %) of about 47.59 THz in the range of 37.5–90 THz when the Fermi energy level is 70 meV. The average absorption exceeds 95 %. In addition, adjusting the Fermi energy level of the BDS alters the absorption bandwidth. The centrosymmetric design of the structure ensures the absorber exhibits insensitivity to different polarization modes and angles of incidence, as well as excellent absorption stability. The designed shock absorber also exhibits excellent tolerance in manufacturing, reducing fabrication challenges and enabling practical applications. In addition, our design possesses the unique ability to modulate light in the mid-infrared band. These remarkable properties position our findings with significant potential in fields such as spectral analysis, optical biosensing technology, infrared sensing, and related applications.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"163 ","pages":"Article 116026"},"PeriodicalIF":3.3,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141239678","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

Structurally-controllable electron-momentum filter based on hybrid ferromagnet, Schottky-metal and semiconductor nanostructure 基于混合铁磁体、肖特基金属和半导体纳米结构的结构可控电子动量滤波器

IF 3.3 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-05-31 DOI: 10.1016/j.physe.2024.116015

Ai-Chuang Ji, Si-Ying Li, Gao-Tuo Cai, Mao-Wang Lu

引用次数: 0

Electronic, rashba and photocatalytic properties of janus XMoYZ2 (X= S, Se, Te ; Y=Si, Ge and Z=N, P) monolayers janus XMoYZ2（X=S、Se、Te；Y=Si、Ge 和 Z=N、P）单层的电子、疹巴和光催化特性

IF 3.3 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-05-25 DOI: 10.1016/j.physe.2024.116012

Ehsan Zamanian, Shoeib Babaee Touski

{"title":"Electronic, rashba and photocatalytic properties of janus XMoYZ2 (X= S, Se, Te ; Y=Si, Ge and Z=N, P) monolayers","authors":"Ehsan Zamanian, Shoeib Babaee Touski","doi":"10.1016/j.physe.2024.116012","DOIUrl":"https://doi.org/10.1016/j.physe.2024.116012","url":null,"abstract":"<div><p>In this work, the electronic, photocatalytic, and spin properties of 2D Janus XMoYZ<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> (X= S, Se, Te; Y=Si, Ge and Z=N, P) monolayers are studied. The electronic properties are investigated and the results indicate that all of them are semiconductor with a suitable bandgap. The band structures with spin–orbit consideration indicate Rashba spin-splitting at the <span><math><mi>Γ</mi></math></span>-valley in the valence band. The spin-splitting at the K-point in the valence band is also significant, whereas the conduction band has negligible spin-splitting. Due to the mirror asymmetry of these compounds, their potential distribution and the corresponding dipole moments are investigated. Finally, by studying the photocatalytic properties, it is found that the redox happened on both sides of SMoSiN<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and SMoGeN<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> monolayers. However, in the cases of SMoSiP<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and TeMoGeN<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> monolayers, each photocatalytic half-reaction occurs on one side where the generated hydrogen and oxygen molecules are separated.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"163 ","pages":"Article 116012"},"PeriodicalIF":3.3,"publicationDate":"2024-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141239677","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

Room-temperature current modulation by an Y junction in graphene/hexagonal boron nitride 石墨烯/六方氮化硼中 Y 结的室温电流调制

IF 3.3 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-05-23 DOI: 10.1016/j.physe.2024.116011

M. Dragoman, A. Dinescu, D. Dragoman

引用次数: 0