{"title":"Effect of the position of a hydrogen-like impurity on the generation of the third harmonic in a cylindrical quantum dot","authors":"A.A. Portacio , D. Madrid , D.A. Rasero","doi":"10.1016/j.physe.2025.116223","DOIUrl":"10.1016/j.physe.2025.116223","url":null,"abstract":"<div><div>This paper presents a theoretical study of the third-order nonlinear optical susceptibility in a GaAs/Ga<sub>0.6</sub>Al<sub>0.4</sub>As cylindrical quantum dot (CDQ) with a hydrogen-like impurity inside. The variational method was utilized to calculate the energies and wave functions corresponding to the bound states of the impurity, which include the <span><math><mrow><mn>1</mn><mi>s</mi></mrow></math></span>-like, <span><math><mrow><mn>2</mn><msub><mrow><mi>p</mi></mrow><mrow><mo>−</mo></mrow></msub></mrow></math></span>-like, <span><math><mrow><mn>2</mn><msub><mrow><mi>p</mi></mrow><mrow><mo>+</mo></mrow></msub></mrow></math></span>-like, and <span><math><mrow><mn>2</mn><msub><mrow><mi>p</mi></mrow><mrow><mi>z</mi></mrow></msub></mrow></math></span>-like states, with consideration of the impurity’s motion within the cylindrical quantum dot. The findings indicate that the resonant peaks of the optical third harmonic generation (THG) coefficient undergo a red shift as the impurity is displaced from the center of the CDQ towards the potential barrier. This shift can be attributed to a reduction in the average electrostatic interaction between the impurity and the surrounding ion as the impurity approaches the potential barrier. This phenomenon can be attributed to the decreased electrostatic attraction between the impurity and the quantum dot core as the impurity moves away from the center and approaches the region of higher potential confinement. These findings have significant implications for the design and optimization of quantum dot-based optoelectronic devices, as manipulation of the impurity position can provide additional control over the nonlinear optical properties of these systems.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116223"},"PeriodicalIF":2.9,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143593302","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}
Nuo Xu , Dawei Liu , Juan Xu , Changshun Wang , Tingcha Wei , Caixia Kan
{"title":"Porous graphitic carbon nitride with sodium doped and N vacancies for synergistically enhancing the performance of RhB photodegradation","authors":"Nuo Xu , Dawei Liu , Juan Xu , Changshun Wang , Tingcha Wei , Caixia Kan","doi":"10.1016/j.physe.2025.116233","DOIUrl":"10.1016/j.physe.2025.116233","url":null,"abstract":"<div><div>Graphite carbon nitride (g-C<sub>3</sub>N<sub>4</sub>) stands out as a highly promising visible-light-driven photocatalyst, yet it grapples with the challenge of boosting its photocatalytic performance by increasing specific surface area, inhibiting charge recombination, and stimulating light absorption. Herein, we successfully synthesized a porous g-C<sub>3</sub>N<sub>4</sub> combining sodium doped and N vacancies to synergistically enhance the photocatalytic performance through a simple secondary thermal polymerization method. The experimental results indicate that the existing porous structure elevates the specific surface area of g-C<sub>3</sub>N<sub>4</sub> to 17.52 m<sup>2</sup> g<sup>−1</sup>. Concurrently, benefiting from the narrower band gap and the more efficient charge separation derived from the synergistic modulation of sodium doped and N vacancies, Na-P-g-C<sub>3</sub>N<sub>4</sub> exhibits 5-fold enhanced catalytic efficiency of Rhodamine B photodegradation compared with the undoped g-C<sub>3</sub>N<sub>4</sub>. This work deepens our insights into optimizing g-C<sub>3</sub>N<sub>4</sub> for highly effective photocatalytic materials through synergistic modulation of sodium doped and N vacancies.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116233"},"PeriodicalIF":2.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577348","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}
Jiawei Shen , Qingxiao Zhou , Xinglong Yan , Weiran Li , Weiwei Ju , Chengyou Cai
{"title":"4d and 5d transition-metal doped Janus PtSSe as a viable sensitive sensor toward COCl2","authors":"Jiawei Shen , Qingxiao Zhou , Xinglong Yan , Weiran Li , Weiwei Ju , Chengyou Cai","doi":"10.1016/j.physe.2025.116234","DOIUrl":"10.1016/j.physe.2025.116234","url":null,"abstract":"<div><div>The adsorption behaviors, electronic and gas-sensing properties of phosgene (COCl<sub>2</sub>) on perfect, defected (S- and Se-vacancy), and transition-metal doped (TMs: Pd, Hf, Ta, W, Re, Os, Ir, and Au) PtSSe monolayer were explored by density functional theory (DFT). Pristine PtSSe monolayer exhibited long adsorption distance, small adsorption energy and low charge transfer for phosgene with physical adsorption. Constructing S- and Se-vacancy enhanced the PtSSe's sensitivity to phosgene, while it remained as physical adsorption nature. Furthermore, the adsorption stability of PtSSe toward COCl<sub>2</sub> was further improved after the introduction of Pd, Hf, Ta, W, Re, Ir dopants. The large adsorption energies and high charge transfer suggested that the adsorption mechanism of COCl<sub>2</sub> was converted to chemical adsorption. Moreover, the large gas response and suitable recovery time indicated the Re-doped Janus PtSSe monolayer could be reusable gas sensors for COCl<sub>2</sub> detection with high sensitivity at room temperature. These results offer insights into the design of gas sensors capable of detecting the highly toxic COCl<sub>2</sub> gas.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116234"},"PeriodicalIF":2.9,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577349","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":"Optical absorption and refractive index change of neutral donors in InAs/GaAs camel-like nanostructures: 3D finite element analysis","authors":"R.A. López-Doria , N. Hernández , M.R. Fulla","doi":"10.1016/j.physe.2025.116222","DOIUrl":"10.1016/j.physe.2025.116222","url":null,"abstract":"<div><div>Spectral and optical properties of neutral donors confined in experimentally grown InAs/GaAs camel-like nanostructures were investigated using the spatial finite element method within the effective mass approximation. The total absorption and refractive index changes were determined by using the compact matrix density formalism. The energy spectrum was found to strongly depend on the donor’s position, with transition energies between the first three low-lying levels below 20 meV (THz band) and further tuneable by applying a static electric field along the “humps”. On-center donor, on-hump donor, and nearly single-electron systems were found to be optically active even at zero electric field. Their optical properties can also be enhanced at specific electric field strengths, a phenomenon linked to the formation of significant dipole moment values and confirmed through volumetric probability density analyses. Additionally, all the systems exhibited a periodic absorption profile with the polarization angle, resembling a “nanoscopic polarizer”.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116222"},"PeriodicalIF":2.9,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143562023","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":"Middle polariton and Schrödinger's cat induced by exciton-photon-phonon coupling system","authors":"Xuebing Gong, Hai Zhu","doi":"10.1016/j.physe.2025.116226","DOIUrl":"10.1016/j.physe.2025.116226","url":null,"abstract":"<div><div>Two-dimensional materials hold significant promise in nanotechnology and optoelectronics. Although strong exciton effects have been observed in experiments with few-layer two-dimensional materials, understanding phonon-exciton interactions remains limited. This paper theoretically examines the energy spectrum of elementary excitations in a three-component exciton-photon-phonon system. In this framework, the phonon-exciton interaction can support a new bound state (middle polariton), which resulting the Rabi oscillation between middle polaritons and lower polaritons. Additionally, this interaction enables the generation of Schrödinger's cat state of the system, which characterized by unique phase space interference, is an ideal candidate for exploring quantum mechanics fundamentals and conducting critical quantum information processing tasks. Our results providing a promising outlook for gaining insights into quantum foundations and quantum metrology, as well as for the development of quantum information.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116226"},"PeriodicalIF":2.9,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143593303","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}
Lei Xu , Shiqi Qiu , Bangyu Li , Shengqun Guo , Ruimin Huang , Weibin Qiu
{"title":"Flexible modulation of topological resonator based on different domain walls based on graphene plasmonic valley photonic crystals","authors":"Lei Xu , Shiqi Qiu , Bangyu Li , Shengqun Guo , Ruimin Huang , Weibin Qiu","doi":"10.1016/j.physe.2025.116225","DOIUrl":"10.1016/j.physe.2025.116225","url":null,"abstract":"<div><div>Topological edge states (ES) emerge at the interfaces between photonic crystals with distinct topological properties, enabling the suppression of backscattering for unidirectional transmission and exhibiting robustness against defects and disorders. In this work, we propose a flexible modulation strategy for the ES within resonators based on graphene plasmonic valley photonic crystals (VPhCs). Specifically, we initially construct four types of rhombic resonators composed by domain walls using topological valley edge states (VES), achieving localized ES optical fields at various domain walls. Subsequently, four categories of domain walls are heterogeneously integrated to form a single hexagonal resonator. The electromagnetic field distribution in the resonators is dynamically modulated by the variation of the frequency. Our results might provide opportunities for the flexible modulation of ES in graphene plasmonic VPhC resonators, offering prospects for applications in topological plasmonic lasers and high-density micro-nano photonic integration.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116225"},"PeriodicalIF":2.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143552877","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":"First-principles exploration of hydrogen evolution ability in MoS2/hBNC/MoSSe vdW trilayer heterojunction for water splitting","authors":"Lei Tian , Jiahuan Hu , Chengyu He , Zhenyi Jiang","doi":"10.1016/j.physe.2025.116221","DOIUrl":"10.1016/j.physe.2025.116221","url":null,"abstract":"<div><div>A trilayer MoS<sub>2</sub>/hBNC/MoSSe heterojunction with two configurations is constructed to explore its electronic and photocatalytic properties. The heterostructure has a direct band gap of 1.14 eV and exhibits a type-II band alignment, with the CBM and VBM in the MoS<sub>2</sub> and MoSSe layers, respectively. It shows a higher reduction overpotential (χH<sub>2</sub> = 2.67 eV) and enhanced visible light absorption. Gibbs free energy calculations suggest that HER can occur spontaneously under light. Therefore, MoS<sub>2</sub>/hBNC/MoSSe demonstrates strong photocatalytic performance for water decomposition, with the trilayer heterojunction significantly boosting its efficiency in overall water splitting.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116221"},"PeriodicalIF":2.9,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508088","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}
Timsy Tinche Lin , Haochen Deng , Junwei Ma , Lizhe Liu
{"title":"Regulation of electronic structures in ReSeS monolayer with anisotropic deformations","authors":"Timsy Tinche Lin , Haochen Deng , Junwei Ma , Lizhe Liu","doi":"10.1016/j.physe.2025.116210","DOIUrl":"10.1016/j.physe.2025.116210","url":null,"abstract":"<div><div>Because of their unique and rich physical properties, transition metal dichalcogenides (TMDs) materials have attracted much interest. Many studies suggest that introducing the degree of freedom of anisotropy—which may be brought about by low structural symmetry—might further optimize their applications in industry and manufacturing. However, most currently reported TMDs do not achieve the theoretical minimum symmetry. Utilizing the first principles calculation, we present ReSeS monolayer with a Janus structure. Results indicate that its electronic dispersion is sensitive to structural distortions, which increases metallicity. Our reduction-Hamiltonian can provide a qualitative description, but further analyses reveal that bonding/antibonding properties near the Fermi surface are the more fundamental cause of the variations. Furthermore, geometric deformations can regulate the effective mass of electrons as well as the spectroscopic response, resulting in anisotropic behaviours. Our ideas serve as a foundation for developing new regulable optoelectronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116210"},"PeriodicalIF":2.9,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474371","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":"Friedel oscillations in two-dimensional materials with inverted bands and Mexican-hat dispersion","authors":"Vladimir A. Sablikov","doi":"10.1016/j.physe.2025.116213","DOIUrl":"10.1016/j.physe.2025.116213","url":null,"abstract":"<div><div>We study Friedel oscillations (FOs) in two-dimensional topological materials with Mexican hat band dispersion, which attract great interest due to the bunch of its inherent non-trivial features, including the Van Hove singularity, doubly connected Fermi surface, non-trivial quantum-geometric properties, and the presence of states with negative effective mass. These factors are found to lead to a three-mode structure of the FOs. One of the modes, arising from electron transitions between the Fermi contours, has an unexpectedly large amplitude. The evolution of the amplitudes of all modes with Fermi energy is largely determined by the interplay of three main factors: intra-contour and inter-contour electron transitions, the quantum metric of the basis states, and the electron–electron interaction. We traced the role of each factor in the formation of the FO pattern and identified the corresponding features of the FO evolution.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116213"},"PeriodicalIF":2.9,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474393","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}
Jacob Wekalao , Ahmed Mehaney , Nassir Saad Alarifi , Mostafa R. Abukhadra , Hussein A. Elsayed
{"title":"High-sensitivity graphene-gold metasurface optical biosensor for early melanoma detection optimized with machine learning using a one-dimensional convolutional neural network and binary encoding","authors":"Jacob Wekalao , Ahmed Mehaney , Nassir Saad Alarifi , Mostafa R. Abukhadra , Hussein A. Elsayed","doi":"10.1016/j.physe.2025.116214","DOIUrl":"10.1016/j.physe.2025.116214","url":null,"abstract":"<div><div>This research presents an advanced terahertz metasurface sensor incorporating graphene and gold elements in a W-shaped resonator configuration for non-invasive melanoma detection. The sensor design, optimized through COMSOL Multiphysics simulations, operates by detecting minute variations in the refractive index of skin tissue that occur during early melanoma development. The optimized sensor achieves a sensitivity of 450 GHzRIU<sup>−1</sup> with a narrow spectral linewidth of 35 GHz in the terahertz regime. A one-dimensional convolutional neural network (1D-CNN) algorithm enhances the sensor's predictive capabilities, achieving R<sup>2</sup> values exceeding 0.95 across various operational parameters. The sensor demonstrates dual functionality through binary information encoding capability via chemical potential modulation. The proposed design shows significant advantages over conventional diagnostic methods, offering rapid, non-invasive detection with high accuracy. Moreover, our numerical findings reveals that the designed sensor provides some robustness performance against various geometric parameters and incident angles, which in turns make it promising for practical melanoma diagnosis applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"170 ","pages":"Article 116214"},"PeriodicalIF":2.9,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143465352","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}