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

{"title":"Computational investigations of the electronic, magnetic, and optical properties of the Cu-/Fe-transition metals adsorbed on Ge monolayer","authors":"Nguyen Thi Han ,&nbsp;Ong Kim Le ,&nbsp;Dam Nhan Ba ,&nbsp;Do Thi Hue ,&nbsp;Dang Phuc Anh ,&nbsp;V.K. Dien","doi":"10.1016/j.physe.2025.116258","DOIUrl":"10.1016/j.physe.2025.116258","url":null,"abstract":"<div><div>In this work, we systematically investigate the electronic, magnetic, and optical properties of Fe- and Cu-transition metal adsorbed on Germanene monolayer (Ge-1L) using density functional theory (DFT). Our results show the Cu adsorption on Ge-1L in non-magnetic states, whereas Fe adsorption induces ferromagnetism. Both systems exhibit n-type doping characteristics due to electron donation from Cu and Fe elements to the Ge-1L lattice, as determined by Bader charge analysis. Furthermore, the optical response of these systems is highly sensitive to the dopant type and carrier concentration. Our computational analysis indicates that the adsorption of Cu and Fe onto Ge-1L leads to outstanding properties. The results show that Fe and Cu doping in Ge-1L opens a pathway for developing new materials for electronic, spintronic, and optoelectronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116258"},"PeriodicalIF":2.9,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844040","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}

{"title":"Quantum state transfer in ladder systems with cross-correlated disorder","authors":"M.S.S. Junior,&nbsp;G.M.A. Almeida,&nbsp;F.A.B.F. de Moura","doi":"10.1016/j.physe.2025.116249","DOIUrl":"10.1016/j.physe.2025.116249","url":null,"abstract":"<div><div>We explore a disordered ladder system as a potential platform for the transmission of a single qubit. The quantum channel consists of two coupled one-dimensional chains, with homogeneous intra- and interchain hoppings. We introduce diagonal cross-correlated disorder into the ladder by assigning opposite binary distributions across each leg. By adding two sites, one at each end of the ladder, we explore the conditions under which high-fidelity quantum state transfer can occur. A finite-size analysis shows that the cross-correlation is capable of maintaining good transfer fidelities even amid the presence of moderate disorder. Our findings contribute to the design of quasi-1D quantum channels prone to static parameter fluctuations for quantum communication devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"171 ","pages":"Article 116249"},"PeriodicalIF":2.9,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143737876","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}

{"title":"Simultaneously achieving multiband coherent and unidirectional perfect absorptions using hybrid resonator metamaterials","authors":"Shanfang Zhang,&nbsp;Rui Yang,&nbsp;Donghao Zhao","doi":"10.1016/j.physe.2025.116247","DOIUrl":"10.1016/j.physe.2025.116247","url":null,"abstract":"<div><div>We present a study on unidirectional perfect absorption and coherent perfect absorption of electromagnetic fields using a periodic three-cavity cascaded Helmholtz resonator coated with a nested ring resonator array in the terahertz spectrum. The transmissive Helmholtz resonator, when illuminated from both sides, achieves coherent perfect absorption at 2.6 THz, 4.85 THz and 5.3 THz, simultaneously serving as the ground for the nested ring resonator array. In contrast, the nested ring resonators act as triple-band unidirectional absorbers at the frequencies of 11.54 THz, 17.91 THz and 24.75 THz, while maintaining transparency at lower frequencies for the Helmholtz resonators. This integrated design of different resonator metamaterials capable of achieving multi-band dual-mode perfect absorptions simultaneously, promising advancements in multifunctional wave-capturing devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"171 ","pages":"Article 116247"},"PeriodicalIF":2.9,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143737875","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}

{"title":"Shell-induced modification of plasmon coupling and appearance of fano resonance without symmetry breaking in core/shell heteronanostructures","authors":"Zhaohua Shi,&nbsp;Fengrui Wang,&nbsp;Ting Shao,&nbsp;Qingzhi Li,&nbsp;Xibin Xu","doi":"10.1016/j.physe.2025.116254","DOIUrl":"10.1016/j.physe.2025.116254","url":null,"abstract":"<div><div>Simulations based on the Discrete Dipole Approximation (DDA) method have been conducted to construct theoretical models consisting of gold cores embedded with various materials in multi-nanoshells, aiming to investigate their plasmonic properties. The optical response of core/multi-shell systems to incident waves is significantly enhanced, with nanoshells demonstrated to effectively modulate surface plasmon frequencies. The plasmon frequencies of shells can be adjusted to match the resonance frequency of the core. The presence of shells alters the field distribution of the entire system, resulting in oscillations perpendicular to the incident polarization. The complex field distribution induced by shells supports the possibility of creating dark resonance modes, leading to predominantly dipolar resonance fano-like resonances combined with bright resonance modes. Core/multi-shell systems have been shown to support fano-like resonances without the need to break symmetry. Strong localized optical fields can be achieved at the frequency of Fano resonance. The narrow spectral features and high local fields of Fano resonances enable many applications based on surface plasmon properties. Simulations and studies have also been conducted on Au/Au core/multi-shell systems with cavity support materials. Rich plasmonic properties can be obtained at their interfaces due to the unique electronic properties of different materials. Different plasmonic phenomena have been observed for the same materials with different structures. In this paper, we only use the gold core/shell to carry out the research.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"171 ","pages":"Article 116254"},"PeriodicalIF":2.9,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143726236","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}

{"title":"A comparative first-principles study of the electronic and excitonic properties of 2H-CrX2 (X = S, Se, Te) monolayers","authors":"Chao Ma ,&nbsp;Wei-Yin Li ,&nbsp;Xue-Feng Xiao ,&nbsp;Ya-Chao Liu ,&nbsp;Wen Tong Geng ,&nbsp;Vei Wang","doi":"10.1016/j.physe.2025.116237","DOIUrl":"10.1016/j.physe.2025.116237","url":null,"abstract":"<div><div>Recently, Habib et al. [Nanoscale 11, 20123 (2019)] achieved the first successful synthesis of a two-dimensional (2D) CrS₂ monolayer via chemical vapor deposition, paving the way for the exploration of Cr-based layered materials with exceptional properties. Using first-principles calculations combined with a semi-empirical van der Waals dispersion correction, we have investigated the electronic and excitonic properties of CrX₂ (X = S, Se, Te). Our results predict that the 2H phase of CrX₂ is a direct bandgap semiconductor with a gap ranging from 1.5 eV to 0.8 eV. We observe an increase in electron mobility and a decrease in hole mobility as X varies from S to Te, with values on the order of several hundred cm<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span>/Vs. This behavior arises from the opposing trends in the deformation potential constants of the valence band compared to those of the conduction band. The exciton binding energy decreases progressively from 0.42 eV in CrS₂ to 0.25 eV in CrTe₂, suggesting a weakening of excitonic effects with the increasing atomic number of the chalcogen element. This trend is associated with increased dielectric screening as X transitions from S to Te. Notably, the relationship between exciton binding energy and bandgap exhibits a linear dependence, described by <span><math><mrow><msub><mrow><mi>E</mi></mrow><mrow><mi>b</mi></mrow></msub><mo>=</mo><mi>α</mi><msub><mrow><mi>E</mi></mrow><mrow><mi>g</mi></mrow></msub><mo>+</mo><mi>β</mi></mrow></math></span>, with <span><math><mrow><mi>α</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>258</mn></mrow></math></span> and <span><math><mrow><mi>β</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>033</mn></mrow></math></span>. The strong excitonic effects and tunable electronic properties of 2H-CrX₂ monolayers suggest their potential for a range of optoelectronic applications, including LEDs, photodetectors, and solar cells, while also opening up avenues for optimizing performance in quantum emitters and photovoltaics through substrate engineering or external fields.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"171 ","pages":"Article 116237"},"PeriodicalIF":2.9,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696690","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}

{"title":"Electronic characteristics of diamanes and diamane-based heterojunctions","authors":"K.S. Grishakov ,&nbsp;V.B. Merinov ,&nbsp;K.P. Katin ,&nbsp;M.M. Maslov","doi":"10.1016/j.physe.2025.116248","DOIUrl":"10.1016/j.physe.2025.116248","url":null,"abstract":"<div><div>In the presented article, the electronic characteristics of various diamanes are calculated from the first principles within the density functional theory, and the band discontinuities in lateral diamane-based heterojunctions are determined. The exchange-correlation functionals PBE and HSE are used. It is shown that lateral heterojunctions formed by carbon and boron-nitride diamanes with a hydrogen surface coating belong to the heterojunctions of the second type. In the case of a lateral boundary between carbon and fluorinated diamanes, a heterojunction of the first type is formed. The possibility of a significant change in the electronic characteristics of quasi-two-dimensional diamanes due to mechanical deformations of tension and compression is demonstrated.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"171 ","pages":"Article 116248"},"PeriodicalIF":2.9,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696691","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}

{"title":"Thermoelectric response of nanoscale devices in the nonlinear regime","authors":"Raymond J. Hartig ,&nbsp;Ioan Grosu ,&nbsp;Ionel Ţifrea","doi":"10.1016/j.physe.2025.116236","DOIUrl":"10.1016/j.physe.2025.116236","url":null,"abstract":"<div><div>We consider the thermoelectric transport through a two-terminal nanoscale device whose terminals are subject to a temperature (<span><math><mrow><mi>Δ</mi><mi>T</mi><mo>=</mo><msub><mrow><mi>T</mi></mrow><mrow><mi>L</mi></mrow></msub><mo>−</mo><msub><mrow><mi>T</mi></mrow><mrow><mi>R</mi></mrow></msub></mrow></math></span>) and voltage difference (<span><math><mrow><mi>Δ</mi><mi>μ</mi><mo>=</mo><msub><mrow><mi>μ</mi></mrow><mrow><mi>L</mi></mrow></msub><mo>−</mo><msub><mrow><mi>μ</mi></mrow><mrow><mi>R</mi></mrow></msub><mo>;</mo><mi>Δ</mi><mi>μ</mi><mo>=</mo><mo>−</mo><mi>e</mi><mi>Δ</mi><mi>V</mi></mrow></math></span>). We present general expressions for the charge and heat currents that allow us to calculate the power output in the nonlinear regime. The formulae for the charge and heat currents are <em>analytical</em>, and can be expressed using dimensionless kinetic transport coefficients <span><math><mrow><msubsup><mrow><mi>K</mi></mrow><mrow><mi>n</mi></mrow><mrow><mi>p</mi></mrow></msubsup><mrow><mo>(</mo><mi>μ</mi><mo>,</mo><mi>T</mi><mo>)</mo></mrow></mrow></math></span>. As an example, we consider the cases of Breit–Wigner, antiresonance, and Fano line-shape electronic transmission functions. In these cases, the dimensionless kinetic coefficients can be calculated in terms of Hurwitz zeta functions and Bernoulli numbers. Our analysis proves that terms beyond the standard linear approximation have to be considered when one investigates the thermoelectric response of a nanoscale device. These results allow for the optimization of the system’s thermoelectric transport efficiency in the nonlinear regime.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"171 ","pages":"Article 116236"},"PeriodicalIF":2.9,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143684134","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Applied electric and magnetic field effects on the bandgap formation and antiferromagnetic ordering in AA-stacked Bilayer Graphene","authors":"V. Apinyan,&nbsp;T. Kopeć","doi":"10.1016/j.physe.2025.116235","DOIUrl":"10.1016/j.physe.2025.116235","url":null,"abstract":"<div><div>In this study, we consider a two-layer graphene structure stacked in the AA form and exposed to the influence of two different electric fields applied to different layers. The graphene layers are also subjected to an external magnetic field perpendicular to the planes of the layers. We investigate the possible effects of the applied in-plane fields and the magnetic field on excitonic pairing, antiferromagnetic order, and the chemical potential. Simultaneously, we analyze the effects of the interlayer Coulomb interaction potential on the physical properties of the considered system. We demonstrate that the application of planar electric fields leads to the formation of an unusually large bandgap in the electronic band structure, which is not typical for AA-stacked bilayer graphene. We discuss various values of the applied electric field potentials and show their influence on the electronic band structure of the system. Additionally, we identify the existence of a critical value of the magnetic field above which Wigner crystallization-like effect is present for the electrons, also affecting the excitonic gap in one spin channel. The results obtained in this study could be important for applications of AA-stacked bilayer graphene as a large band-gap material.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"171 ","pages":"Article 116235"},"PeriodicalIF":2.9,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143684135","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}

{"title":"Bound state in continuum and its superconducting-induced modification in the two-channel Fano–Anderson structure","authors":"Jun-Jie Yuan ,&nbsp;Cui Jiang ,&nbsp;Tong Gong ,&nbsp;Lian-Lian Zhang ,&nbsp;Wei-Jiang Gong","doi":"10.1016/j.physe.2025.116231","DOIUrl":"10.1016/j.physe.2025.116231","url":null,"abstract":"<div><div>This work systematically investigates the electronic transport properties of multi-quantum-dot (multi-QD) systems in a two-channel Fano–Anderson structure using non-equilibrium Green’s function method. It is found that the coupling asymmetry between QDs and leads, QD levels, and external magnetic flux are key factors to induce rich quantum transport phenomena, including bound states in continuum (BIC) and the Fano antiresonance. By regulating the number and spatial symmetry of QDs, effective control of these quantum effects can be achieved, exhibiting clear odd–even oscillation patterns. In the presence of superconducting proximity effect, the Andreev reflection can also contribute to the electron transport properties, but the BIC phenomena tend to be more notable. These results help to understand the transport characteristics of the two-channel Fano–Anderson structure.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"171 ","pages":"Article 116231"},"PeriodicalIF":2.9,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143636744","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}

{"title":"Thermal transport across a vacuum gap between two reconstructed Si-nanomembranes","authors":"Agustin Matias Mancardo Viotti ,&nbsp;Edgar Alejandro Bea ,&nbsp;Alejandro Gabriel Monastra ,&nbsp;María Florencia Carusela","doi":"10.1016/j.physe.2025.116232","DOIUrl":"10.1016/j.physe.2025.116232","url":null,"abstract":"<div><div>In this work we examine the interaction energy between two reconstructed silicon nanomembranes using a density-functional-based tight-binding (DFTB) approach, focusing on its impact on thermal conductance across a nanogap. By coupling the DFTB method with a harmonic atomistic model, we calculate the vibrational modes (phonons) and the equilibration times, which are directly related to the thermal conductance. Our findings show that surface reconstruction and the relative alignment of facing dimer structures significantly influence the phononic contribution to thermal conductance. Although the harmonic model simplifies the interactions of the real system,our results agree well with previous studies, demonstrating that this model captures key aspects of phonon-mediated heat transfer. Overall, our approach provides a computationally efficient method for understanding phononic heat transfer across nanogaps, with implications for designing nanoscale thermal management systems.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"171 ","pages":"Article 116232"},"PeriodicalIF":2.9,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143684136","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}