Pub Date : 2026-02-01Epub Date: 2025-12-30DOI: 10.1016/j.physe.2025.116457
Arash Vaghef-Koodehi
We present a comprehensive simulation-based study of a quaternary van der Waals heterostructure—Graphene/WSe2/MoTe2/In2Se3—engineered for fully optical, voltage-free reconfiguration of nanoelectronic logic. Optical power densities between 1 μW/cm2 and 100 μW/cm2 were applied consistently across all simulations, inducing reversible threshold-voltage shifts up to 3.5 V over a broadband spectral range (400–1300 nm). Coupled Schrödinger–Poisson and drift–diffusion calculations reveal carrier dynamics governed by photodoping and ferroelectric charge trapping, yielding responsivity ≈2.5 A/W (at 650 nm) and sub-100 ns switching times. Layer-thickness optimization (WSe2: 1.2 nm, MoTe2: 0.9 nm) ensures balanced optical absorption and carrier transit, minimizing total power consumption near 15 μW/cm2 illumination. Thermal reliability tests within 250–400 K show negligible drift in VTH (0.8 mV/K) and responsivity (0.2 %/K). These findings establish design principles for high-speed, optically driven logic architectures, offering promising pathways toward simulation-based reconfigurable 2D nanoelectronics and neuromorphic photogating devices.
{"title":"Optically tunable quaternary 2D heterostructures for fast, simulation-driven nanoelectronic reconfiguration","authors":"Arash Vaghef-Koodehi","doi":"10.1016/j.physe.2025.116457","DOIUrl":"10.1016/j.physe.2025.116457","url":null,"abstract":"<div><div>We present a comprehensive simulation-based study of a quaternary van der Waals heterostructure—Graphene/WSe<sub>2</sub>/MoTe<sub>2</sub>/In<sub>2</sub>Se<sub>3</sub>—engineered for fully optical, voltage-free reconfiguration of nanoelectronic logic. Optical power densities between 1 μW/cm<sup>2</sup> and 100 μW/cm<sup>2</sup> were applied consistently across all simulations, inducing reversible threshold-voltage shifts up to 3.5 V over a broadband spectral range (400–1300 nm). Coupled Schrödinger–Poisson and drift–diffusion calculations reveal carrier dynamics governed by photodoping and ferroelectric charge trapping, yielding responsivity ≈2.5 A/W (at 650 nm) and sub-100 ns switching times. Layer-thickness optimization (WSe<sub>2</sub>: 1.2 nm, MoTe<sub>2</sub>: 0.9 nm) ensures balanced optical absorption and carrier transit, minimizing total power consumption near 15 μW/cm<sup>2</sup> illumination. Thermal reliability tests within 250–400 K show negligible drift in V<sub>TH</sub> (0.8 mV/K) and responsivity (0.2 %/K). These findings establish design principles for high-speed, optically driven logic architectures, offering promising pathways toward simulation-based reconfigurable 2D nanoelectronics and neuromorphic photogating devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116457"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145884275","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}
Pub Date : 2026-02-01Epub Date: 2025-11-24DOI: 10.1016/j.physe.2025.116422
Yande Wang, Fujun Liu
Molybdenum disulfide (MoS2) exhibits electronic properties that are sensitive to morphological variations, making it a compelling candidate for tunable nanoelectronic applications. In this study, we employ first-principles calculations to systematically investigate how changes in MoS2 structure influence its atomic and electronic structure, including crystal configuration, band structure, and density of states. Our results demonstrate that morphological modifications induce significant alterations in electronic properties, offering a deeper understanding of structure-property relationships in MoS2. These theoretical insights not only elucidate the mechanisms behind structure-dependent electronic behavior but also provide a foundation for the rational design of optimized MoS2-based devices. By establishing structure as a critical tuning parameter, this work opens new pathways for advancing MoS2 applications in next-generation nanoelectronics.
{"title":"Structure-driven electronic property modulation in MoS2: Insights from first-principles calculations","authors":"Yande Wang, Fujun Liu","doi":"10.1016/j.physe.2025.116422","DOIUrl":"10.1016/j.physe.2025.116422","url":null,"abstract":"<div><div>Molybdenum disulfide (MoS<sub>2</sub>) exhibits electronic properties that are sensitive to morphological variations, making it a compelling candidate for tunable nanoelectronic applications. In this study, we employ first-principles calculations to systematically investigate how changes in MoS<sub>2</sub> structure influence its atomic and electronic structure, including crystal configuration, band structure, and density of states. Our results demonstrate that morphological modifications induce significant alterations in electronic properties, offering a deeper understanding of structure-property relationships in MoS<sub>2</sub>. These theoretical insights not only elucidate the mechanisms behind structure-dependent electronic behavior but also provide a foundation for the rational design of optimized MoS<sub>2</sub>-based devices. By establishing structure as a critical tuning parameter, this work opens new pathways for advancing MoS<sub>2</sub> applications in next-generation nanoelectronics.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116422"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145600506","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}
Pub Date : 2026-02-01Epub Date: 2025-11-28DOI: 10.1016/j.physe.2025.116424
L. Mandhour, F. Bouhadida
We show that under compressive uniaxial deformation of the three-band lattice, the Dirac cones move toward each other, merge, and a gap opens, while the flat band remains unchanged. Consequently, the low-energy spectrum transitions from linear to quadratic dispersion, indicating the shift from massless to massive Dirac particles. Here, we theoretically investigate the tunneling properties of particles through a sharp junction in a deformed lattice, focusing on the case where the particle energy is half the junction height. We show that this transition from massless to massive particles leads to a change from omnidirectional total transmission, known as super-Klein tunneling, to omnidirectional total reflection, referred to as anti-super-Klein tunneling, in the case of the dice lattice (). For all values of , this transition manifests as a change from conventional Klein tunneling to anti-Klein tunneling.
{"title":"Klein tunneling in deformed honeycomb–dice lattice: From massless to massive particles","authors":"L. Mandhour, F. Bouhadida","doi":"10.1016/j.physe.2025.116424","DOIUrl":"10.1016/j.physe.2025.116424","url":null,"abstract":"<div><div>We show that under compressive uniaxial deformation of the three-band <span><math><mrow><mi>α</mi><mo>−</mo><msub><mrow><mi>T</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span> lattice, the Dirac cones move toward each other, merge, and a gap opens, while the flat band remains unchanged. Consequently, the low-energy spectrum transitions from linear to quadratic dispersion, indicating the shift from massless to massive Dirac particles. Here, we theoretically investigate the tunneling properties of particles through a sharp <span><math><mi>np</mi></math></span> junction in a deformed <span><math><mrow><mi>α</mi><mo>−</mo><msub><mrow><mi>T</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span> lattice, focusing on the case where the particle energy is half the junction height. We show that this transition from massless to massive particles leads to a change from omnidirectional total transmission, known as super-Klein tunneling, to omnidirectional total reflection, referred to as anti-super-Klein tunneling, in the case of the dice lattice (<span><math><mrow><mi>α</mi><mo>=</mo><mn>1</mn></mrow></math></span>). For all values of <span><math><mi>α</mi></math></span>, this transition manifests as a change from conventional Klein tunneling to anti-Klein tunneling.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116424"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145617268","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}
Pub Date : 2026-02-01Epub Date: 2025-12-23DOI: 10.1016/j.physe.2025.116453
Bill D. Aparicio Huacarpuma , Muhammad Irfan , Carlos A. Vilca Huayhua , Fábio L. Lopes de Mendonça , Carlos M.O. Bastos , Alexandre C. Dias , Luiz A. Ribeiro Junior
The urgent global demand for clean and efficient energy has intensified the search for novel low-dimensional materials with photovoltaic potential. Two-dimensional (2D) materials, particularly Janus materials, are emerging as promising candidates for solar cell applications owing to their electronic properties. However, the literature lacks studies that analyze the impact of excitons on their optical properties and power conversion efficiency (PCE) for such devices. In this work, we perform a comprehensive first-principles investigation of the structural, thermodynamic, electronic, and optical properties of 2D Janus XSO ( Sn, Ge) monolayers, analyzing the impact of excitonic effects on photovoltaic devices. Both systems are identified as direct-gap semiconductors, with band gaps of 0.86 eV and 0.59 eV at the PBE level, increasing to 1.74 eV and 1.52 eV within the HSE06 functional, respectively. Their optical response, evaluated through a Wannier basis tight-binding Hamiltonian combined with the Bethe–Salpeter equation, reveals pronounced excitonic effects, with binding energies of 315 meV for SnSO and 256 meV for GeSO. The photovoltaic performance, assessed via the Shockley–Queisser limit, yields theoretical power conversion efficiencies of up to 32.46 %. These results demonstrate that 2D Janus SnSO and GeSO monolayers are promising candidates for next-generation solar energy technologies, combining suitable band gaps with intense light–matter interactions.
{"title":"Electronic structure and light-harvesting efficiency of Janus XSO (X = Sn, Ge) monolayers","authors":"Bill D. Aparicio Huacarpuma , Muhammad Irfan , Carlos A. Vilca Huayhua , Fábio L. Lopes de Mendonça , Carlos M.O. Bastos , Alexandre C. Dias , Luiz A. Ribeiro Junior","doi":"10.1016/j.physe.2025.116453","DOIUrl":"10.1016/j.physe.2025.116453","url":null,"abstract":"<div><div>The urgent global demand for clean and efficient energy has intensified the search for novel low-dimensional materials with photovoltaic potential. Two-dimensional (2D) materials, particularly Janus materials, are emerging as promising candidates for solar cell applications owing to their electronic properties. However, the literature lacks studies that analyze the impact of excitons on their optical properties and power conversion efficiency (PCE) for such devices. In this work, we perform a comprehensive first-principles investigation of the structural, thermodynamic, electronic, and optical properties of 2D Janus XSO (<span><math><mrow><mi>X</mi><mo>=</mo></mrow></math></span> Sn, Ge) monolayers, analyzing the impact of excitonic effects on photovoltaic devices. Both systems are identified as direct-gap semiconductors, with band gaps of 0.86<!--> <!-->eV and 0.59<!--> <!-->eV at the PBE level, increasing to 1.74<!--> <!-->eV and 1.52<!--> <!-->eV within the HSE06 functional, respectively. Their optical response, evaluated through a Wannier basis tight-binding Hamiltonian combined with the Bethe–Salpeter equation, reveals pronounced excitonic effects, with binding energies of 315<!--> <!-->meV for SnSO and 256<!--> <!-->meV for GeSO. The photovoltaic performance, assessed via the Shockley–Queisser limit, yields theoretical power conversion efficiencies of up to 32.46<!--> <!-->%. These results demonstrate that 2D Janus SnSO and GeSO monolayers are promising candidates for next-generation solar energy technologies, combining suitable band gaps with intense light–matter interactions.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116453"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145840165","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}
Pub Date : 2026-02-01Epub Date: 2025-11-29DOI: 10.1016/j.physe.2025.116434
Zafer Gültekin
In this work, we systematically investigate the structural, optical, and magnetic properties of undoped and Co-doped ZnO thin films prepared by the sol–gel method, supported by DFT (Quantum ESPRESSO) calculations. XRD analysis confirms the retention of the hexagonal wurtzite phase, while Co incorporation leads to c-axis expansion, reduced crystallite size, and increased microstrain and a moderate expansion along the c-axis associated with strain- and defect-mediated lattice perturbations. UV–Vis spectra reveal a band-gap narrowing and redshift, consistent with Co 3 d-derived intermediate states near the band edges. Photoelectrochemical measurements (Mott–Schottky and time-resolved photocurrent) show an increase in carrier density and enhanced photocurrent under UV illumination. VSM measurements demonstrate room-temperature ferromagnetism, and DFT reveals spin-asymmetric density of states and Co-centered magnetic moments, which provide a microscopic rationale for these experimental findings.
{"title":"Co-doped ZnO thin films: Experimental and DFT insights into structural, optical and magnetic properties","authors":"Zafer Gültekin","doi":"10.1016/j.physe.2025.116434","DOIUrl":"10.1016/j.physe.2025.116434","url":null,"abstract":"<div><div>In this work, we systematically investigate the structural, optical, and magnetic properties of undoped and Co-doped ZnO thin films prepared by the sol–gel method, supported by DFT (Quantum ESPRESSO) calculations. XRD analysis confirms the retention of the hexagonal wurtzite phase, while Co incorporation leads to c-axis expansion, reduced crystallite size, and increased microstrain and a moderate expansion along the c-axis associated with strain- and defect-mediated lattice perturbations. UV–Vis spectra reveal a band-gap narrowing and redshift, consistent with Co 3 d-derived intermediate states near the band edges. Photoelectrochemical measurements (Mott–Schottky and time-resolved photocurrent) show an increase in carrier density and enhanced photocurrent under UV illumination. VSM measurements demonstrate room-temperature ferromagnetism, and DFT reveals spin-asymmetric density of states and Co-centered magnetic moments, which provide a microscopic rationale for these experimental findings.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116434"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145682470","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}
Pub Date : 2026-02-01Epub Date: 2025-11-29DOI: 10.1016/j.physe.2025.116426
Zhengqin Cao , Xiaoxiao Liao , Gang Wei , Xue Gong , Jia Wang
Endogenous volatile organic compounds (VOCs) can reflect human health status and be applied in clinical diagnosis and health monitoring. 2,3-butanediol (2,3-C4H10O2) is a characteristic VOC gas for gastric diseases. To explore potential gas-sensitive materials capable of detecting this characteristic VOC gas associated with gastric diseases, this study investigates the gas-sensing properties of nickel (Ni)-doped and cobalt (Co)-doped tungsten diselenide monolayers (TM-WSe2) towards 2,3-C4H10O2 based on density functional theory. Through the analysis of adsorption energy, adsorption distance, charge transfer, density of states, and highest occupied molecular orbital/lowest unoccupied molecular orbital (HOMO/LUMO), the results indicate that Ni-doped and Co-doped tungsten diselenide monolayers may exhibit favorable gas-sensing characteristics towards 2,3-butanediol (2,3-C4H10O2), and these nanomaterials are expected to be applied in gastric diseases monitoring and clinical diagnosis.
{"title":"Theoretical study on adsorption and gas-sensing behavior of 2,3-butanediol on Ni- and Co-doped WSe2 monolayers based on DFT","authors":"Zhengqin Cao , Xiaoxiao Liao , Gang Wei , Xue Gong , Jia Wang","doi":"10.1016/j.physe.2025.116426","DOIUrl":"10.1016/j.physe.2025.116426","url":null,"abstract":"<div><div>Endogenous volatile organic compounds (VOCs) can reflect human health status and be applied in clinical diagnosis and health monitoring. 2,3-butanediol (2,3-C<sub>4</sub>H<sub>10</sub>O<sub>2</sub>) is a characteristic VOC gas for gastric diseases. To explore potential gas-sensitive materials capable of detecting this characteristic VOC gas associated with gastric diseases, this study investigates the gas-sensing properties of nickel (Ni)-doped and cobalt (Co)-doped tungsten diselenide monolayers (TM-WSe<sub>2</sub>) towards 2,3-C<sub>4</sub>H<sub>10</sub>O<sub>2</sub> based on density functional theory. Through the analysis of adsorption energy, adsorption distance, charge transfer, density of states, and highest occupied molecular orbital/lowest unoccupied molecular orbital (HOMO/LUMO), the results indicate that Ni-doped and Co-doped tungsten diselenide monolayers may exhibit favorable gas-sensing characteristics towards 2,3-butanediol (2,3-C<sub>4</sub>H<sub>10</sub>O<sub>2</sub>), and these nanomaterials are expected to be applied in gastric diseases monitoring and clinical diagnosis.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116426"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145682471","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}
Pub Date : 2026-02-01Epub Date: 2025-12-03DOI: 10.1016/j.physe.2025.116440
Mohammad Hossein Gholamyan , Hamed Jafarzadeh , Seyed Ebrahim Hosseini
In this manuscript, we investigate the electronic and optical properties of four graphyne nanoribbons containing square rings and compare them with those of graphene. Some bonds in the graphyne structures exhibit acetylene characteristics, and the nanoribbons appear in two edge configurations: armchair and zigzag. The calculations were performed using Density Functional Theory (DFT). Unlike graphene, certain graphyne configurations show a significant energy gap in the zigzag form, with some structures exhibiting a gap even larger than that of graphene. The range of realistic and homogeneous dielectric responses is also broader in some graphyne nanoribbons, leading to improved optical performance. The diverse properties observed in these systems suggest that graphyne nanoribbons may serve as promising candidates for future electronic and optical applications, such as transistors and sensors.
{"title":"First-principles study of the electronic and optical properties of square-ring graphyne nanoribbons","authors":"Mohammad Hossein Gholamyan , Hamed Jafarzadeh , Seyed Ebrahim Hosseini","doi":"10.1016/j.physe.2025.116440","DOIUrl":"10.1016/j.physe.2025.116440","url":null,"abstract":"<div><div>In this manuscript, we investigate the electronic and optical properties of four graphyne nanoribbons containing square rings and compare them with those of graphene. Some bonds in the graphyne structures exhibit acetylene characteristics, and the nanoribbons appear in two edge configurations: armchair and zigzag. The calculations were performed using Density Functional Theory (DFT). Unlike graphene, certain graphyne configurations show a significant energy gap in the zigzag form, with some structures exhibiting a gap even larger than that of graphene. The range of realistic and homogeneous dielectric responses is also broader in some graphyne nanoribbons, leading to improved optical performance. The diverse properties observed in these systems suggest that graphyne nanoribbons may serve as promising candidates for future electronic and optical applications, such as transistors and sensors.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116440"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145737373","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}
Pub Date : 2026-02-01Epub Date: 2025-11-26DOI: 10.1016/j.physe.2025.116427
Yanyan Liu, Yan Chen
Metamaterials possess the powerful capability to manipulate electromagnetic waves and have found extensive applications in some areas such as negative refractive index, optical cloaking, and high absorption. In particular, research on the perfect solar absorbers has attracted significant attention. Here, a simple metamaterial solar absorber is designed, which consists of a Ti substrate, a Si3N4 dielectric layer, a periodically patterned layer made up of Ti-TiN-Si3N4. The research results indicate that the average absorption of the designed absorber reaches 98.9 % within the wavelength span of 280–3800 nm, and the overall absorption remains above 94 %. Ultra-wideband perfect absorption of the proposed absorber is achieved through the coupled effect of localized surface plasmon resonance (LSPR), propagating surface plasmon resonance (PSPR), magnetic resonance (MR) and cavity resonance (CR). Moreover, both polarization and large-angle incidence have a significant advantage of insensitivity on the absorber. In solar thermal systems, it achieves a total solar absorptivity of 98.8 %, with only a 1.2 % loss. Moreover, the thermal radiation efficiency reaches 99.0 % when the temperature reaches as high as 1500 K, the efficiency of photothermal conversion is 93.2 % when the temperature reaches up to 1000 K. Based on the above-mentioned results, the absorber holds excellent application prospects in related fields of solar energy. And its outstanding absorption performance can be fully utilized for driving innovation and development, thereby meeting the continuous growth of clean and renewable energy.
超材料具有强大的电磁波操纵能力，在负折射率、光学隐身、高吸收等领域有着广泛的应用。特别是对完美太阳能吸收器的研究引起了极大的关注。本文设计了一种简单的超材料太阳能吸收体，它由Ti衬底、Si3N4介电层和由Ti- tin -Si3N4组成的周期性图案层组成。研究结果表明，设计的吸收剂在280 ~ 3800 nm波长范围内的平均吸收率达到98.9%，总吸收率保持在94%以上。该吸收剂的超宽带完美吸收是通过局域表面等离子体共振（LSPR）、传播表面等离子体共振（PSPR）、磁共振（MR）和腔共振（CR）的耦合作用实现的。此外，偏振和大角度入射角对吸收器都有显著的不敏感的优点。在太阳能热系统中，它达到了98.8%的总太阳能吸收率，只有1.2%的损失。当温度达到1500 K时，热辐射效率达到99.0%，当温度达到1000 K时，光热转换效率达到93.2%。基于上述结果，该吸收体在太阳能相关领域具有良好的应用前景。充分利用其优异的吸收性能，带动创新发展，满足清洁和可再生能源的不断增长。
{"title":"A simple ultra-wideband metamaterial solar absorber with near-perfect thermal radiation","authors":"Yanyan Liu, Yan Chen","doi":"10.1016/j.physe.2025.116427","DOIUrl":"10.1016/j.physe.2025.116427","url":null,"abstract":"<div><div>Metamaterials possess the powerful capability to manipulate electromagnetic waves and have found extensive applications in some areas such as negative refractive index, optical cloaking, and high absorption. In particular, research on the perfect solar absorbers has attracted significant attention. Here, a simple metamaterial solar absorber is designed, which consists of a Ti substrate, a Si<sub>3</sub>N<sub>4</sub> dielectric layer, a periodically patterned layer made up of Ti-TiN-Si<sub>3</sub>N<sub>4.</sub> The research results indicate that the average absorption of the designed absorber reaches 98.9 % within the wavelength span of 280–3800 nm, and the overall absorption remains above 94 %. Ultra-wideband perfect absorption of the proposed absorber is achieved through the coupled effect of localized surface plasmon resonance (LSPR), propagating surface plasmon resonance (PSPR), magnetic resonance (MR) and cavity resonance (CR). Moreover, both polarization and large-angle incidence have a significant advantage of insensitivity on the absorber. In solar thermal systems, it achieves a total solar absorptivity of 98.8 %, with only a 1.2 % loss. Moreover, the thermal radiation efficiency reaches 99.0 % when the temperature reaches as high as 1500 K, the efficiency of photothermal conversion is 93.2 % when the temperature reaches up to 1000 K. Based on the above-mentioned results, the absorber holds excellent application prospects in related fields of solar energy. And its outstanding absorption performance can be fully utilized for driving innovation and development, thereby meeting the continuous growth of clean and renewable energy.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116427"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145617267","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}
Pub Date : 2026-02-01Epub Date: 2025-12-10DOI: 10.1016/j.physe.2025.116441
Jiansheng Hu , Yingliang Chen , Zhaoming Fu , Peizhi Yang , Xiaobo Feng
We present a comprehensive theoretical study on the stacking-dependent photoconductivity of bilayer silicene under external electric and exchange fields, with a focus on the critical role of spin-orbit coupling (SOC). Using the Kane-Mele tight-binding model combined with Kubo formalism, we systematically investigate the interband and intraband optical conductivity across infrared to visible spectral ranges for both AA- and AB-stacked configurations. The calculations reveal that the SOC induces distinct bandgap hierarchies (16 meV for AA stacking vs 7.8 meV for AB stacking) and triggers a redshift in infrared photoconductivity, with AB stacking exhibiting stronger SOC sensitivity. AA stacking maintains stable visible-range peaks while AB stacking shows dual peak modulation and far-infrared enhancement above V = 0.15 eV. Exchange fields generate spin-split van Hove singularities, with AB stacking exhibiting accelerated conductivity growth above M = 0.05 eV. The sign reversal of imaginary conductivity at ℏω = 2 eV enables plasmonic mode selection. These findings establish a unified framework for field-controlled optoelectronic response in bilayer silicene, providing design principles for tunable photodetectors and quantum spin devices.
{"title":"Stacking-dependent photoconductivity in bilayer silicene: external-field modulation via spin-orbit coupling","authors":"Jiansheng Hu , Yingliang Chen , Zhaoming Fu , Peizhi Yang , Xiaobo Feng","doi":"10.1016/j.physe.2025.116441","DOIUrl":"10.1016/j.physe.2025.116441","url":null,"abstract":"<div><div>We present a comprehensive theoretical study on the stacking-dependent photoconductivity of bilayer silicene under external electric and exchange fields, with a focus on the critical role of spin-orbit coupling (SOC). Using the Kane-Mele tight-binding model combined with Kubo formalism, we systematically investigate the interband and intraband optical conductivity across infrared to visible spectral ranges for both AA- and AB-stacked configurations. The calculations reveal that the SOC induces distinct bandgap hierarchies (16 meV for AA stacking <em>vs</em> 7.8 meV for AB stacking) and triggers a redshift in infrared photoconductivity, with AB stacking exhibiting stronger SOC sensitivity. AA stacking maintains stable visible-range peaks while AB stacking shows dual peak modulation and far-infrared enhancement above <em>V</em> = 0.15 eV. Exchange fields generate spin-split van Hove singularities, with AB stacking exhibiting accelerated conductivity growth above <em>M</em> = 0.05 eV. The sign reversal of imaginary conductivity at ℏ<em>ω</em> = 2 eV enables plasmonic mode selection. These findings establish a unified framework for field-controlled optoelectronic response in bilayer silicene, providing design principles for tunable photodetectors and quantum spin devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116441"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145737369","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}
The interfacial properties of ZrOS/Graphene and ZrSSe/Graphene heterostructures are investigated by first-principles. It is found that SeZrS/Graphene, SZrSe/Graphene, and OZrS/Graphene form n-type Schottky contacts, while SZrO/Graphene forms a p-type Schottky contact.Applying an external electric field to the heterostructures causes the Ohmic contact. We further investigate the effects of S vacancy defects and Se substitutional doping on the heterostructures. The introduction of an S vacancy converts the SZrO/Graphene from a p-type Schottky contact into an n-type quasi-ohmic contact. Furthermore, these vacancies enhance the intrinsic dipole moment in both ZrOS and ZrSSe, thereby promoting (or inhibiting) charge transfer at the heterointerface. In contrast, Se substitution introduces new energy bands within the electronic structure. These findings provide a theoretical basis for the wide range of applications of 2D heterostructures in nanoelectronic devices.
{"title":"Interfacial properties of ZrSX/Graphene(X=O,Se) heterostructures with the modulation of electric field and defect engineering","authors":"Peisong Lu, Wenjie Chen, Jingjun Chen, Xu Li, Songyang Li, Baoan Bian","doi":"10.1016/j.physe.2025.116436","DOIUrl":"10.1016/j.physe.2025.116436","url":null,"abstract":"<div><div>The interfacial properties of ZrOS/Graphene and ZrSSe/Graphene heterostructures are investigated by first-principles. It is found that SeZrS/Graphene, SZrSe/Graphene, and OZrS/Graphene form n-type Schottky contacts, while SZrO/Graphene forms a p-type Schottky contact.Applying an external electric field to the heterostructures causes the Ohmic contact. We further investigate the effects of S vacancy defects and Se substitutional doping on the heterostructures. The introduction of an S vacancy converts the SZrO/Graphene from a p-type Schottky contact into an n-type quasi-ohmic contact. Furthermore, these vacancies enhance the intrinsic dipole moment in both ZrOS and ZrSSe, thereby promoting (or inhibiting) charge transfer at the heterointerface. In contrast, Se substitution introduces new energy bands within the electronic structure. These findings provide a theoretical basis for the wide range of applications of 2D heterostructures in nanoelectronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"177 ","pages":"Article 116436"},"PeriodicalIF":2.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145682474","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}
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