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Polarization state control in the focal region of a binary polarized and phase-delayed zone plate 二元偏振相位延迟带片焦区的偏振状态控制
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-12 DOI: 10.1016/j.rinp.2025.108399
Hector A. Trejo-Mandujano, Elsa G. Ordóñez-Casanova, Abdiel Ramírez-Reyes, Betania Sánchez-Santamaría
{"title":"Polarization state control in the focal region of a binary polarized and phase-delayed zone plate","authors":"Hector A. Trejo-Mandujano,&nbsp;Elsa G. Ordóñez-Casanova,&nbsp;Abdiel Ramírez-Reyes,&nbsp;Betania Sánchez-Santamaría","doi":"10.1016/j.rinp.2025.108399","DOIUrl":"10.1016/j.rinp.2025.108399","url":null,"abstract":"<div><div>This paper presents a device for controlling optical fields using conic binary zone plates. These plates consist of two orthogonal polarizers integrated with a phase retardation plate. When illuminated with linearly polarized light, and by varying the phase shift between the orthogonal components, the polarization state at the focal region can be dynamically modified. This method enables precise control of optical properties, with potential applications in areas such as optical communications. The effectiveness of the proposed device is demonstrated through computational simulations, which illustrate how the optical field behavior changes under different operating conditions.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108399"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145107889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Conversion of Zernike polynomial coefficients to wave aberration power series coefficients 泽尼克多项式系数到波像差幂级数系数的转换
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-10 DOI: 10.1016/j.rinp.2025.108430
Zichao Fan , Shili Wei
{"title":"Conversion of Zernike polynomial coefficients to wave aberration power series coefficients","authors":"Zichao Fan ,&nbsp;Shili Wei","doi":"10.1016/j.rinp.2025.108430","DOIUrl":"10.1016/j.rinp.2025.108430","url":null,"abstract":"<div><div>As fundamental tools in optical engineering, H. Hopkins’ wave aberration function and Zernike polynomials have respectively dominated optical design and wavefront characterization for decades. While the former underpins modern aberration analysis, the latter has become indispensable in optical testing, precision alignment, and quantitative phase evaluation at exit pupils. With the increasing complexity of contemporary optical systems requiring multidisciplinary integration, advanced simulations demand concurrent consideration of wave optical effects and geometric aberration theory, which necessitates establishing explicit connections between these two pivotal mathematical frameworks over circular apertures. Leveraging the field-dependent characteristics of Zernike polynomials, we achieve term-wise correspondence between the two polynomial systems. This approach enables rigorous derivation of an explicit transformation matrix connecting the mathematical formulations. Numerical implementations validate the proposed methodology while revealing critical insights into aberration decomposition mechanisms. The established framework provides theoretical guidance for optimizing complex optical systems, where wavefront manipulation and aberration control require coordinated treatment.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108430"},"PeriodicalIF":4.6,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145061373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Ferroelectric order and nonlinear optical response in Hexagonal-HoMnO3 hexonal - homno3的铁电有序和非线性光学响应
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-09 DOI: 10.1016/j.rinp.2025.108422
E. Martínez-Aguilar , H’Linh Hmok , Rigoberto López-Juárez
{"title":"Ferroelectric order and nonlinear optical response in Hexagonal-HoMnO3","authors":"E. Martínez-Aguilar ,&nbsp;H’Linh Hmok ,&nbsp;Rigoberto López-Juárez","doi":"10.1016/j.rinp.2025.108422","DOIUrl":"10.1016/j.rinp.2025.108422","url":null,"abstract":"<div><div>In this work, first-principles calculations have been performed, to elucidate the electronic, structural, optical, and ferroelectric properties of <em>h</em>-HoMnO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, making emphasis on its polar and shift current response. The results confirm a spontaneous polarization along the <em>c</em>-axis driven by the hybridization of the Mn-O orbitals, and the concomitant shift of the Ho ion in the same direction. Shift current calculations reveal a significant anisotropic response with a stronger current generation along the polar axis, demonstrating a direct correlation between ferroelectricity and nonlinear optical effects. These results position the <em>h</em>-HoMnO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> as a promising candidate for optoelectronic and energy harvesting applications without conventional <span><math><mi>p</mi></math></span>-<span><math><mi>n</mi></math></span> junctions.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108422"},"PeriodicalIF":4.6,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Experimental and theoretical radiative parameters of some odd-parity levels in Tb III Tbⅲ中某些奇宇称能级的实验和理论辐射参数
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-09 DOI: 10.1016/j.rinp.2025.108428
Hongfeng Zheng , Yu Wang , Huifang Li , Qingsen Xu , Shujun Chen , Zhuoyang He , Zhonghai Zhai , Zhenwen Dai
{"title":"Experimental and theoretical radiative parameters of some odd-parity levels in Tb III","authors":"Hongfeng Zheng ,&nbsp;Yu Wang ,&nbsp;Huifang Li ,&nbsp;Qingsen Xu ,&nbsp;Shujun Chen ,&nbsp;Zhuoyang He ,&nbsp;Zhonghai Zhai ,&nbsp;Zhenwen Dai","doi":"10.1016/j.rinp.2025.108428","DOIUrl":"10.1016/j.rinp.2025.108428","url":null,"abstract":"<div><div>Natural radiative lifetimes of 19 odd-parity levels of Tb III in the energy range between 52,039 and 62,734 cm<sup>−1</sup> were measured by the time-resolved laser-induced fluorescence method. To our knowledge, the lifetimes for 16 out of 19 levels were measured for the first time. The pseudo-relativistic Hartree-Fock method was used to calculate the lifetimes and branching fractions (BFs) of the investigated energy levels. Combining the measured lifetimes with the theoretical BFs, the semiempirical transition probabilities and oscillator strengths for 245 lines were determined, 58 lines of which were determined for the first time.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108428"},"PeriodicalIF":4.6,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Optoelectronic, magnetic, EFG and NMR properties of olivine-type LiMPO4 (M = Fe, Mn, Co, Mg) cathodes for application in lithium-ion battery by DFT 用DFT研究了锂离子电池用橄榄石型LiMPO4 (M = Fe, Mn, Co, Mg)阴极的光电、磁、EFG和NMR性能
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-08 DOI: 10.1016/j.rinp.2025.108425
H. Vahidi , H.A. Rahnamaye Aliabad , Evren Görkem Özdemir
{"title":"Optoelectronic, magnetic, EFG and NMR properties of olivine-type LiMPO4 (M = Fe, Mn, Co, Mg) cathodes for application in lithium-ion battery by DFT","authors":"H. Vahidi ,&nbsp;H.A. Rahnamaye Aliabad ,&nbsp;Evren Görkem Özdemir","doi":"10.1016/j.rinp.2025.108425","DOIUrl":"10.1016/j.rinp.2025.108425","url":null,"abstract":"<div><div>In this study, we present a comprehensive first-principles investigation into the structural, electronic, optical, magnetic, and hyperfine properties of olivine-type LiMPO<sub>4</sub> compounds (M =Co, Fe, Mg, Mn), using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). All compounds crystallize in the orthorhombic Pnma space group, with structural parameters exhibiting systematic variation according to the ionic radius of the M−site cation. Electronic band structure analysis reveals insulating behavior in LiFePO<sub>4</sub> and LiMgPO<sub>4</sub> with wide band gap, while LiCoPO<sub>4</sub> and LiMnPO<sub>4</sub> are identified as wide-bandgap semiconductors, owing to transition metal 3d–O 2p hybridization. Optical studies demonstrate pronounced anisotropy in dielectric response and absorption spectra, with LiMgPO<sub>4</sub> exhibiting the highest absorption threshold. Spin-polarized calculations unveil high-spin magnetic configurations in transition-metal-based compounds, with total cell magnetic moments. Furthermore, hyperfine interaction analysis, including electric field gradients and magnetic shielding tensors, and highlights significant anisotropy effects, particularly for Fe2<sup>+</sup> and Mn2<sup>+</sup> centers. The quadrupole coupling constants (C<sub>Q</sub>) and asymmetry parameters (η) provide insights into local symmetry breaking and electron density distribution around metal centers. This integrated computational approach underscores the tunability of LiMPO<sub>4</sub> compounds for next-generation lithium-ion battery cathodes and multifunctional materials with optoelectronic and magnetic properties.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108425"},"PeriodicalIF":4.6,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Temporal magnetized ferrite slabs for nonreciprocal wave propagation and arbitrary Faraday rotations 非倒易波传播和任意法拉第旋转的时间磁化铁氧体板
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-05 DOI: 10.1016/j.rinp.2025.108421
Seyed Ali Yazdani, Abbas Ghasempour Ardakani
{"title":"Temporal magnetized ferrite slabs for nonreciprocal wave propagation and arbitrary Faraday rotations","authors":"Seyed Ali Yazdani,&nbsp;Abbas Ghasempour Ardakani","doi":"10.1016/j.rinp.2025.108421","DOIUrl":"10.1016/j.rinp.2025.108421","url":null,"abstract":"<div><div>Nonreciprocity plays a crucial role in the realization of optical diodes, isolators, and circulators. Conventional nonreciprocal devices are typically fabricated using magneto-optical materials, which require strong external magnetic fields and patterned structures. Recently, nonreciprocity and Faraday polarization rotation have been demonstrated in a temporal magnetized plasma slab by abruptly changing its material parameters. In this paper, we develop a transfer matrix method to analyze the propagation of electromagnetic waves through a multilayer temporal structure composed of successive magnetized ferrite slabs. In the proposed structure, the spatially homogeneous medium abruptly transitions from free space to a magnetized ferrite and then back to free space after a defined time interval. By introducing a figure of merit, we determine the optimal values for the external magnetic field strength and the temporal thickness of the slab such that the structure functions as a 45° Faraday rotator. Furthermore, nonreciprocity in polarization conversion is demonstrated for this temporal structure. This confirms the potential of the proposed temporal structure to realize a Faraday isolator in the radio frequency region without the need for strong magnetic fields, spatial boundaries, patterned structures, or electromagnetic field confinement within an optical cavity. Additionally, we show that arbitrary polarization rotation of a linearly polarized incident wave can be achieved by appropriately selecting the external magnetic field and temporal width of the ferrite slab. Our results suggest that temporal structures based on ferrite materials hold promise for applications in wave engineering and the design of nonreciprocal devices.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108421"},"PeriodicalIF":4.6,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Wang–Landau study of the frustrated J1-J2 Ising model on the honeycomb lattice: Phase diagrams and residual entropy 蜂窝晶格上受挫J1-J2 Ising模型的Wang-Landau研究:相图和剩余熵
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-01 DOI: 10.1016/j.rinp.2025.108412
Mouhcine Azhari , Hoseung Jang , Unjong Yu
{"title":"The Wang–Landau study of the frustrated J1-J2 Ising model on the honeycomb lattice: Phase diagrams and residual entropy","authors":"Mouhcine Azhari ,&nbsp;Hoseung Jang ,&nbsp;Unjong Yu","doi":"10.1016/j.rinp.2025.108412","DOIUrl":"10.1016/j.rinp.2025.108412","url":null,"abstract":"<div><div>We investigate the full phase diagram of the frustrated <span><math><msub><mrow><mi>J</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>-<span><math><msub><mrow><mi>J</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> Ising model on the two-dimensional honeycomb lattice, incorporating both nearest-neighbor interaction <span><math><msub><mrow><mi>J</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span> and next-nearest-neighbor interaction <span><math><msub><mrow><mi>J</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> using the Wang–Landau Monte Carlo method combined with finite-size scaling analysis. We map out the zero- and finite-temperature phase diagrams as a function of <span><math><mrow><msub><mrow><mi>J</mi></mrow><mrow><mn>2</mn></mrow></msub><mo>/</mo><msub><mrow><mi>J</mi></mrow><mrow><mn>1</mn></mrow></msub></mrow></math></span>. From the entropy profile, we identify four distinct ground-state structures — ferromagnetic, antiferromagnetic, dimer, and stripe states — and confirm that the residual entropy scales linearly with the lattice’s linear dimension in the stripe and dimer ground states. Our results suggest that the transition from the paramagnetic phase into the dimer or stripe phase changes its nature from first-order to continuous while the transition into the ferromagnetic or antiferromagnetic phase is continuous and belongs to the two-dimensional Ising universality class.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"76 ","pages":"Article 108412"},"PeriodicalIF":4.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144931955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Second-order response matrix solution for 1D Poiseuille plane-channel flow 一维泊泽维尔平面通道流的二阶响应矩阵解
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-01 DOI: 10.1016/j.rinp.2025.108363
Barry D. Ganapol
{"title":"Second-order response matrix solution for 1D Poiseuille plane-channel flow","authors":"Barry D. Ganapol","doi":"10.1016/j.rinp.2025.108363","DOIUrl":"10.1016/j.rinp.2025.108363","url":null,"abstract":"<div><div>With increasing miniaturization of diagnostic medical devices for more effective detection of blood-borne pathogens, Poiseuille molecular flow in microchannels has become increasingly important in medical device design. Because continuum mechanics no longer applies when the Knudson number is close to or larger than unity, kinetic theory is required to precisely capture the microscopic molecular scattering responsible for molecular flow that creates a velocity profile across the channel in the flow direction. Here, we apply a response matrix solution to the 1D Poiseuille flow equation assuming a BGK scattering approximation featuring simplicity with extreme precision by following a consistent mathematical/numerical formulation leading to 8-place (9-digit) benchmarks.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"76 ","pages":"Article 108363"},"PeriodicalIF":4.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145044282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Comparative study of TB-mBJ and GGA-PBE techniques on the electronic and optical characteristics of AlxGa1−xN alloys TB-mBJ和GGA-PBE技术对AlxGa1−xN合金电子和光学特性的比较研究
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-01 DOI: 10.1016/j.rinp.2025.108417
Boshra Kiani Sadr , Aliasghar Shokri , Bahram Abedi Ravan
{"title":"Comparative study of TB-mBJ and GGA-PBE techniques on the electronic and optical characteristics of AlxGa1−xN alloys","authors":"Boshra Kiani Sadr ,&nbsp;Aliasghar Shokri ,&nbsp;Bahram Abedi Ravan","doi":"10.1016/j.rinp.2025.108417","DOIUrl":"10.1016/j.rinp.2025.108417","url":null,"abstract":"<div><div>The structural, electronic, and optical properties of AlN, GaN, and their ternary alloys Al<em><sub>x</sub></em>Ga<sub>1−</sub><em><sub>x</sub></em>N (<em>x =</em> 0.25, 0.5, 0.75) in the zinc-blende structure have been investigated using density functional theory (DFT) calculations. This study comprehensively examines these properties, including the dielectric function within the random phase approximation, employing both GGA-PBE and TB-mBJ exchange–correlation functionals for comparative analysis. The results derived from these two approaches have been compared with each other and with available experimental and theoretical data. The findings for the electronic band structures, calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) functional (4.880, 4.690, 4.014, 3.498, and 3.148 eV for <em>x</em>  = 1, 0.75, 0.5, 0.25, 0), show good agreement with experimental band gaps for AlN and GaN. For the ternary alloys (<em>x =</em> 0.25, 0.5, 0.75), where theoretical data using TB-mBJ are scarce, first-time predictions have been provided that demonstrate improved band gap values compared to other theoretical studies. The TB-mBJ approximation has been shown to significantly enhance the energy gap and shift the conduction bands to higher energies, resulting in a corresponding shift of the optical spectra. This shift leads to a decrease in the dielectric constant and refractive index. Additionally, the interband transitions responsible for the spectral features have been identified, with an analysis of the optical matrix elements revealing that the main peaks in the spectra are primarily driven by transitions from the N 2p states to the N 2s states.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"76 ","pages":"Article 108417"},"PeriodicalIF":4.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144925659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Enhanced photovoltaic performance in Sb2(S,Se)3/CuI planar-heterojunction solar cells: Insights from device simulation Sb2(S,Se)3/CuI平面异质结太阳能电池的光电性能增强:来自器件仿真的见解
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-01 DOI: 10.1016/j.rinp.2025.108423
Ramashanker Gupta , Swapnil Barthwal , Vinay Gupta
{"title":"Enhanced photovoltaic performance in Sb2(S,Se)3/CuI planar-heterojunction solar cells: Insights from device simulation","authors":"Ramashanker Gupta ,&nbsp;Swapnil Barthwal ,&nbsp;Vinay Gupta","doi":"10.1016/j.rinp.2025.108423","DOIUrl":"10.1016/j.rinp.2025.108423","url":null,"abstract":"<div><div>In state-of-the-art <span><math><mrow><msub><mrow><mi>Sb</mi></mrow><mn>2</mn></msub><msub><mrow><mo>(</mo><mi>S</mi><mo>,</mo><mi>S</mi><mi>e</mi><mo>)</mo></mrow><mn>3</mn></msub></mrow></math></span> solar cells, the absorber is sandwiched between toxic-<span><math><mrow><mi>CdS</mi></mrow></math></span> and expensive <span><math><mrow><mi>Spiro</mi><mo>-</mo><mi>O</mi><mi>M</mi><mi>e</mi><mi>T</mi><mi>A</mi><mi>D</mi></mrow></math></span>, serving as electron and hole transport layers (<span><math><mi>ETL</mi><mspace></mspace><mi>and</mi><mspace></mspace><mi>HTL</mi></math></span>), respectively. Adhering to the current trend in green chemistry, it is crucial to either reduce the usage of aforementioned materials or find their alternatives. In this context, this work investigates the feasibility of employing <span><math><mrow><mi>Sn</mi><msub><mi>O</mi><mn>2</mn></msub><mo>/</mo><mi>C</mi><mi>d</mi><mi>S</mi></mrow></math></span> bilayer <span><math><mrow><mo>(</mo><mi>E</mi><mi>T</mi><mi>L</mi><mo>)</mo></mrow></math></span> and <span><math><mrow><mi>CuI</mi></mrow></math></span> (<span><math><mrow><mi>HTL</mi><mo>)</mo></mrow></math></span> in <span><math><mrow><msub><mrow><mi>Sb</mi></mrow><mn>2</mn></msub><msub><mrow><mo>(</mo><mi>S</mi><mo>,</mo><mi>S</mi><mi>e</mi><mo>)</mo></mrow><mn>3</mn></msub></mrow></math></span> solar cells. The simulation results reveal that substituting <span><math><mrow><mi>CdS</mi></mrow></math></span> with <span><math><mrow><mi>Sn</mi><msub><mi>O</mi><mn>2</mn></msub><mo>/</mo><mi>C</mi><mi>d</mi><mi>S</mi></mrow></math></span> bilayer can potentially improve photocurrent by 2 <span><math><mrow><mi>mA</mi><msup><mrow><mi>cm</mi></mrow><mrow><mo>-</mo><mn>2</mn></mrow></msup></mrow></math></span>, while <span><math><mrow><mi>Spiro</mi><mo>-</mo><mi>O</mi><mi>M</mi><mi>e</mi><mi>T</mi><mi>A</mi><mi>D</mi></mrow></math></span> with <span><math><mrow><mi>CuI</mi></mrow></math></span> can boost photovoltage by <span><math><mrow><mn>100</mn><mi>m</mi><mi>V</mi></mrow></math></span>. Consequently, a <span><math><mrow><mi>PCE</mi></mrow></math></span> of <span><math><mrow><mn>21.19</mn><mo>%</mo></mrow></math></span> and 17.82 % was demonstrated in optimized devices, based on <span><math><mrow><mi>Au</mi></mrow></math></span> and Carbon electrode, respectively. This work endorses <span><math><mrow><mi>CuI</mi></mrow></math></span> as an efficient heterojunction partner with <span><math><mrow><msub><mrow><mi>Sb</mi></mrow><mn>2</mn></msub><msub><mrow><mo>(</mo><mi>S</mi><mo>,</mo><mi>S</mi><mi>e</mi><mo>)</mo></mrow><mn>3</mn></msub></mrow></math></span> absorber layer and provides critical insights for the fabrication of highly efficient <span><math><mrow><mo>(</mo><mi>P</mi><mi>C</mi><mi>E</mi><mo>&gt;</mo><mn>20</mn><mo>%</mo><mo>)</mo></mrow></math></span> and cost-effective <span><math><mrow><msub><mrow><mi>Sb</mi></mrow><mn>2</mn></msub><msub><mrow><mo>(</mo><mi>S</mi><mo>,</mo><mi>S</mi><mi>e</mi><mo","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"76 ","pages":"Article 108423"},"PeriodicalIF":4.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145044281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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