Pub Date : 2026-03-01Epub Date: 2026-01-16DOI: 10.1016/j.physe.2026.116471
Pin-Hung Chen , Shih-Wei Ko , Po-Han Lee , Shih-Yeh Chen
We develop a systematically parameterized non-orthogonal, multi-orbital tight-binding (TB) framework to accurately model the electronic structure of small-diameter armchair carbon nanotubes. Our approach explicitly treats the overlap matrix and curvature-induced hybridization within a generalized eigenvalue formulation. The key advancement lies in our benchmark-driven calibration strategy: we optimize the distance-decay parameters (, ) for the Slater-Koster integrals by calibrating the distance-decay parameters against a single low-energy benchmark and validating the resulting model across multiple independent electronic properties. This single, transferable parameter set enables the model to reproduce three critical benchmarks: (i) a diameter-dependent Fermi velocity that converges to the established graphene limit, (ii) a one-dimensional van Hove singularity sequence following with controlled small-radius deviations, and (iii) the magnitude and scaling of the tiny curvature-induced band gap. The quantitative agreement across these distinct diagnostics validates the model’s accuracy and internal consistency, establishing it as a reliable and efficient single-particle baseline for the design and interpretation of curved carbon-nanostructure devices.
{"title":"Non-orthogonal effects in the application of a multi-orbital tight-binding model to armchair carbon nanotubes","authors":"Pin-Hung Chen , Shih-Wei Ko , Po-Han Lee , Shih-Yeh Chen","doi":"10.1016/j.physe.2026.116471","DOIUrl":"10.1016/j.physe.2026.116471","url":null,"abstract":"<div><div>We develop a systematically parameterized non-orthogonal, multi-orbital tight-binding (TB) framework to accurately model the electronic structure of small-diameter armchair carbon nanotubes. Our approach explicitly treats the overlap matrix and curvature-induced <span><math><mrow><mi>σ</mi><mo>−</mo><mi>π</mi></mrow></math></span> hybridization within a generalized eigenvalue formulation. The key advancement lies in our benchmark-driven calibration strategy: we optimize the distance-decay parameters (<span><math><mi>β</mi></math></span>, <span><math><msub><mrow><mi>β</mi></mrow><mrow><mtext>overlap</mtext></mrow></msub></math></span>) for the Slater-Koster integrals by calibrating the distance-decay parameters <span><math><mrow><mo>(</mo><mi>β</mi><mo>,</mo><msub><mrow><mi>β</mi></mrow><mrow><mtext>overlap</mtext></mrow></msub><mo>)</mo></mrow></math></span> against a single low-energy benchmark and validating the resulting model across multiple independent electronic properties. This single, transferable parameter set enables the model to reproduce three critical benchmarks: (i) a diameter-dependent Fermi velocity that converges to the established graphene limit, (ii) a one-dimensional van Hove singularity sequence following <span><math><mrow><msub><mrow><mi>E</mi></mrow><mrow><mi>m</mi></mrow></msub><mo>∝</mo><mi>m</mi><mo>/</mo><mi>R</mi></mrow></math></span> with controlled small-radius deviations, and (iii) the magnitude and scaling of the tiny curvature-induced band gap. The quantitative agreement across these distinct diagnostics validates the model’s accuracy and internal consistency, establishing it as a reliable and efficient single-particle baseline for the design and interpretation of curved carbon-nanostructure devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"178 ","pages":"Article 116471"},"PeriodicalIF":2.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146038223","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 : 2026-03-01Epub Date: 2026-01-24DOI: 10.1016/j.physe.2026.116474
Xiaolong Hu , Min Ai , Yan Chen , Shanjun Chen , Jie Hou , Yanli Qu
The applications of broadband perfect absorbers are extensive, encompassing energy harvesting, solar photovoltaics, thermal emitters, and even stealth technology. This versatility arises from their unique ability to exhibit perfect absorption within a specific range of wavelengths. In this study, we propose a broadband metamaterial absorber consisting of a four-layer periodic structure made of Ti and Al2O3. The FDTD method was utilized to optimize the structural parameters, thereby attaining an impressive average absorption rate of up to 98.9 % within the 280–3000 nm wavelength range. The mutual coupling of three distinct resonance types, magnetic resonance (MR), including cavity resonance (CR) and surface plasmon resonance (SPR), enables the structure to achieve perfect absorption. Furthermore, the absorber exhibits a high degree of tolerance for fabrication errors and is polarization-independent. It achieves an impressive 99.1 % solar energy capture under sunlight irradiation at AM1.5, while its thermal emissivity at 1500 K reaches as high as 99.3 %. The photothermal conversion efficiency of 93.3 % was achieved when the absorber was operated at a temperature of 1000 K. Notably, this absorber maintains a high average absorption rate of 93.6 % in transverse magnetic (TM) mode and 92.4 % in transverse electric (TE) mode at an incident angle of 70°. The designed absorber exhibits a range of exceptional characteristics that make it a promising candidate for various applications.
{"title":"A broadband metamaterial perfect absorber with near-perfect thermal radiation and extreme insensitivity to large-angle incidence","authors":"Xiaolong Hu , Min Ai , Yan Chen , Shanjun Chen , Jie Hou , Yanli Qu","doi":"10.1016/j.physe.2026.116474","DOIUrl":"10.1016/j.physe.2026.116474","url":null,"abstract":"<div><div>The applications of broadband perfect absorbers are extensive, encompassing energy harvesting, solar photovoltaics, thermal emitters, and even stealth technology. This versatility arises from their unique ability to exhibit perfect absorption within a specific range of wavelengths. In this study, we propose a broadband metamaterial absorber consisting of a four-layer periodic structure made of Ti and Al<sub>2</sub>O<sub>3</sub>. The FDTD method was utilized to optimize the structural parameters, thereby attaining an impressive average absorption rate of up to 98.9 % within the 280–3000 nm wavelength range. The mutual coupling of three distinct resonance types, magnetic resonance (MR), including cavity resonance (CR) and surface plasmon resonance (SPR), enables the structure to achieve perfect absorption. Furthermore, the absorber exhibits a high degree of tolerance for fabrication errors and is polarization-independent. It achieves an impressive 99.1 % solar energy capture under sunlight irradiation at AM1.5, while its thermal emissivity at 1500 K reaches as high as 99.3 %. The photothermal conversion efficiency of 93.3 % was achieved when the absorber was operated at a temperature of 1000 K. Notably, this absorber maintains a high average absorption rate of 93.6 % in transverse magnetic (TM) mode and 92.4 % in transverse electric (TE) mode at an incident angle of 70°. The designed absorber exhibits a range of exceptional characteristics that make it a promising candidate for various applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"178 ","pages":"Article 116474"},"PeriodicalIF":2.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078770","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 : 2026-03-01Epub Date: 2026-01-04DOI: 10.1016/j.physe.2025.116454
Chen Du, You Xie, Yi-Xuan Wu, Xue Cao, Su-Fang Wang, Li-Yong Chen, Tao Zhang
The ubiquitous Schottky barrier (SB) formation at metal-semiconductor interfaces remains a fundamental challenge that degrades device performance, while achieving Ohmic contacts in 2D heterostructures could revolutionize nanoelectronics. Herein, we employ first-principles calculations to systematically investigate the SB modulation mechanisms in 2D TaSe2/SeMoSiP2 heterostructures. Four energetically stable configurations (Ⅰ-Ⅳ) are identified, exhibiting distinct contact characteristics: 1T-phase-based types Ⅰ and Ⅱ form n-type Schottky contacts with barriers of 0.38/0.25 eV, whereas 2H-phase-based types Ⅲ and Ⅳ demonstrate p-type behavior (0.42/0.31 eV barriers). Notably, external stimuli induce remarkable transitions: (1) ±0.6 V/Å electric fields enable reversible n↔p contact-type switching, achieving ideal Ohmic contacts at critical field strengths; (2) ±10 % biaxial strain triggers universal Ohmic transitions via bandgap renormalization, particularly effective in type Ⅱ under compression; and (3) synergistic field-strain modulation amplifies band-edge shifts by 300 % compared to individual stimuli, with compressive strain (−4 %) plus negative field (−0.4 V/Å) inducing VBM-Fermi level crossing, while tensile strain (6 %) with positive field (0.5 V/Å) drives CBM crossing. These findings establish a comprehensive dual-regulation paradigm for tailored SB engineering, providing fundamental insights and practical guidelines for designing high-performance 2D nanoelectronics devices.
{"title":"Effect of electric field, strain, and their synergistic interaction on Schottky barrier tuning and electronic structures in 2D TaSe2/SeMoSiP2 heterostructures","authors":"Chen Du, You Xie, Yi-Xuan Wu, Xue Cao, Su-Fang Wang, Li-Yong Chen, Tao Zhang","doi":"10.1016/j.physe.2025.116454","DOIUrl":"10.1016/j.physe.2025.116454","url":null,"abstract":"<div><div>The ubiquitous Schottky barrier (SB) formation at metal-semiconductor interfaces remains a fundamental challenge that degrades device performance, while achieving Ohmic contacts in 2D heterostructures could revolutionize nanoelectronics. Herein, we employ first-principles calculations to systematically investigate the SB modulation mechanisms in 2D TaSe<sub>2</sub>/SeMoSiP<sub>2</sub> heterostructures. Four energetically stable configurations (Ⅰ-Ⅳ) are identified, exhibiting distinct contact characteristics: 1T-phase-based types Ⅰ and Ⅱ form n-type Schottky contacts with barriers of 0.38/0.25 eV, whereas 2H-phase-based types Ⅲ and Ⅳ demonstrate p-type behavior (0.42/0.31 eV barriers). Notably, external stimuli induce remarkable transitions: (1) ±0.6 V/Å electric fields enable reversible n↔p contact-type switching, achieving ideal Ohmic contacts at critical field strengths; (2) ±10 % biaxial strain triggers universal Ohmic transitions via bandgap renormalization, particularly effective in type Ⅱ under compression; and (3) synergistic field-strain modulation amplifies band-edge shifts by 300 % compared to individual stimuli, with compressive strain (−4 %) plus negative field (−0.4 V/Å) inducing VBM-Fermi level crossing, while tensile strain (6 %) with positive field (0.5 V/Å) drives CBM crossing. These findings establish a comprehensive dual-regulation paradigm for tailored SB engineering, providing fundamental insights and practical guidelines for designing high-performance 2D nanoelectronics devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"178 ","pages":"Article 116454"},"PeriodicalIF":2.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145898020","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 : 2026-03-01Epub Date: 2026-01-13DOI: 10.1016/j.physe.2026.116472
Noora H. Ali, Lafy F. Al-Badry
Nucleobases, essential biomolecules underpinning numerous biological processes, its identification is crucial for DNA sequencing, one of the Human Genome Project's primary objectives. Here, we use density functional theory (DFT) calculations to systematically examine the adsorption behavior and sensing characteristics of natural (A, C, G, and T) DNA bases on a Janus WSSe modified with the Pt transition metal. To characterize the structural stability, the adsorption energies and ideal nucleobase distances to the altered nanostructures have been assessed. The adsorption strength between DNA nucleobases and Pt-WSSe followed the trend A (−2.53 eV) ≥ G (−2.52 eV) > C (−2. 457eV) > T (−1.95 eV), with adsorption heights in the range of 2.092–2.066 Å. All adsorption procedures are spontaneous and have a chemisorption-natured due to negative and huge adsorption energies. A smaller band gap on the Pt-modified WSSe surface suggests that these nanostructures' conductivity is comparatively better than that of the pure system. Our results demonstrate that the Pt-WSSe monolayer, which experiences structural aberrations as a result of chemisorption, is a useful sensing platform. It is characterized by optimal sensitivity towards the nucleotides under study. Nucleobase molecule desorption recovery times from a monolayer are very long under normal circumstances, but they can be greatly reduced by annealing at a high temperature while being exposed to UV light. Therefore, a Pt-doped WSSe monolayer is expected to be a natural nucleobase sensor of the work-function type. This study makes a substantial contribution to our knowledge of possible DNA sensing platforms and their electronic properties, which will further the pursuit of customized medicine using improved DNA sequencing technology.
{"title":"Platinum doped two-dimensional Janus WSSe monolayer-based biosensors for discrimination of natural DNA bases","authors":"Noora H. Ali, Lafy F. Al-Badry","doi":"10.1016/j.physe.2026.116472","DOIUrl":"10.1016/j.physe.2026.116472","url":null,"abstract":"<div><div>Nucleobases, essential biomolecules underpinning numerous biological processes, its identification is crucial for DNA sequencing, one of the Human Genome Project's primary objectives. Here, we use density functional theory (DFT) calculations to systematically examine the adsorption behavior and sensing characteristics of natural (A, C, G, and T) DNA bases on a Janus WSSe modified with the Pt transition metal. To characterize the structural stability, the adsorption energies and ideal nucleobase distances to the altered nanostructures have been assessed. The adsorption strength between DNA nucleobases and Pt-WSSe followed the trend A (−2.53 eV) ≥ G (−2.52 eV) > C (−2. 457eV) > T (−1.95 eV), with adsorption heights in the range of 2.092–2.066 Å. All adsorption procedures are spontaneous and have a chemisorption-natured due to negative and huge adsorption energies. A smaller band gap on the Pt-modified WSSe surface suggests that these nanostructures' conductivity is comparatively better than that of the pure system. Our results demonstrate that the Pt-WSSe monolayer, which experiences structural aberrations as a result of chemisorption, is a useful sensing platform. It is characterized by optimal sensitivity towards the nucleotides under study. Nucleobase molecule desorption recovery times from a monolayer are very long under normal circumstances, but they can be greatly reduced by annealing at a high temperature while being exposed to UV light. Therefore, a Pt-doped WSSe monolayer is expected to be a natural nucleobase sensor of the work-function type. This study makes a substantial contribution to our knowledge of possible DNA sensing platforms and their electronic properties, which will further the pursuit of customized medicine using improved DNA sequencing technology.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"178 ","pages":"Article 116472"},"PeriodicalIF":2.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145979584","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 : 2026-03-01Epub Date: 2026-01-08DOI: 10.1016/j.physe.2025.116455
Shengyu Qu , Yuxin Fan , Shuai Cui , Sheng Fu , Yang Gao
This paper presents a theoretical design of a high-sensitivity sensor utilizing plasmonic excitation in a metamaterial structure composed of black phosphorus (BP) and graphene. This structure achieves a high refractive index sensitivity of 4.33 THz/RIU while maintaining excellent linearity, with an R2 value of 0.996. Finite-Difference Time-Domain (FDTD) simulations demonstrate dual-peak high absorption of 99.72 % and 99.35 % under TE polarization, consistent with Lorentz coupling models. Due to the inherent anisotropy of BP, the TM polarization absorption is significantly lower at 2.33 %. This pronounced polarization dependence enables applications in optical switching, achieving a modulation depth (MD) as high as 97.64 % and an insertion loss (IL) of only 0.01 dB. Furthermore, the structure exhibits a group delay of 2.26 ps. Its performance shows minimal variations with incident angle and exhibits robustness against temperature fluctuations. This study provides valuable design insights for developing novel multifunctional optoelectronic devices.
{"title":"Plasmon-induced transparency multifunctional design based on black phosphorus and graphene metamaterials","authors":"Shengyu Qu , Yuxin Fan , Shuai Cui , Sheng Fu , Yang Gao","doi":"10.1016/j.physe.2025.116455","DOIUrl":"10.1016/j.physe.2025.116455","url":null,"abstract":"<div><div>This paper presents a theoretical design of a high-sensitivity sensor utilizing plasmonic excitation in a metamaterial structure composed of black phosphorus (BP) and graphene. This structure achieves a high refractive index sensitivity of 4.33 THz/RIU while maintaining excellent linearity, with an R<sup>2</sup> value of 0.996. Finite-Difference Time-Domain (FDTD) simulations demonstrate dual-peak high absorption of 99.72 % and 99.35 % under TE polarization, consistent with Lorentz coupling models. Due to the inherent anisotropy of BP, the TM polarization absorption is significantly lower at 2.33 %. This pronounced polarization dependence enables applications in optical switching, achieving a modulation depth (<em>MD</em>) as high as 97.64 % and an insertion loss (<em>IL</em>) of only 0.01 dB. Furthermore, the structure exhibits a group delay of 2.26 ps. Its performance shows minimal variations with incident angle and exhibits robustness against temperature fluctuations. This study provides valuable design insights for developing novel multifunctional optoelectronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"178 ","pages":"Article 116455"},"PeriodicalIF":2.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145929068","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 : 2026-03-01Epub Date: 2026-01-23DOI: 10.1016/j.physe.2026.116473
Kaihua Zhu , Jiakang Yang , Yingyu Wang , Rundong Wan , Zhengfu Zhang , Shuaikang Wang , Mengnie Li , Dandan Mao , Guocai Tian
Two-dimensional photocatalysts with balanced redox potentials, effective carrier transport, and sufficient visible-light absorption are desirable for hydrogen evolution but remain difficult to realize within a single material system. In this work, we propose a new ZnSO monolayer designed from a chemical-bond framework perspective. The structure is stabilized by an O–S–Zn–O covalent backbone, while a Zn–S delocalized network provides efficient electronic conduction pathways. First-principles calculations confirm the dynamical, thermal, and environmental stability of the monolayer through phonon spectra, AIMD simulations, and cohesive energy analysis. The material exhibits a moderate band gap of 2.69 eV, strong orbital hybridization near the band edges, and highly anisotropic carrier mobility, reaching up to 1.20 × 105 cm2 V−1 s−1 for electrons. Optical calculations indicate that the ZnSO monolayer absorbs light in the visible region, with the absorption onset around 419 nm and stronger absorption at shorter visible wavelengths, enabling effective use of solar energy. which contributes to a theoretical solar-to-hydrogen efficiency of 12.7 % under AM1.5G illumination. and the band-edge alignment satisfies the thermodynamic requirements for water splitting. Free-energy analyses further show that the hydrogen evolution reaction becomes energetically favorable under photoexcitation (ΔGH = −0.05 eV). These results suggest that the ZnSO monolayer is a promising low-dimensional semiconductor for photocatalytic hydrogen production and demonstrate the potential of chemical-bond–guided electronic design strategies in 2D systems.
{"title":"Chemical-bond framework design for spontaneous hydrogen evolution in a ZnSO monolayer","authors":"Kaihua Zhu , Jiakang Yang , Yingyu Wang , Rundong Wan , Zhengfu Zhang , Shuaikang Wang , Mengnie Li , Dandan Mao , Guocai Tian","doi":"10.1016/j.physe.2026.116473","DOIUrl":"10.1016/j.physe.2026.116473","url":null,"abstract":"<div><div>Two-dimensional photocatalysts with balanced redox potentials, effective carrier transport, and sufficient visible-light absorption are desirable for hydrogen evolution but remain difficult to realize within a single material system. In this work, we propose a new ZnSO monolayer designed from a chemical-bond framework perspective. The structure is stabilized by an O–S–Zn–O covalent backbone, while a Zn–S delocalized network provides efficient electronic conduction pathways. First-principles calculations confirm the dynamical, thermal, and environmental stability of the monolayer through phonon spectra, AIMD simulations, and cohesive energy analysis. The material exhibits a moderate band gap of 2.69 eV, strong orbital hybridization near the band edges, and highly anisotropic carrier mobility, reaching up to 1.20 × 10<sup>5</sup> cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup> for electrons. Optical calculations indicate that the ZnSO monolayer absorbs light in the visible region, with the absorption onset around 419 nm and stronger absorption at shorter visible wavelengths, enabling effective use of solar energy. which contributes to a theoretical solar-to-hydrogen efficiency of 12.7 % under AM1.5G illumination. and the band-edge alignment satisfies the thermodynamic requirements for water splitting. Free-energy analyses further show that the hydrogen evolution reaction becomes energetically favorable under photoexcitation (ΔG<sub>H</sub> = −0.05 eV). These results suggest that the ZnSO monolayer is a promising low-dimensional semiconductor for photocatalytic hydrogen production and demonstrate the potential of chemical-bond–guided electronic design strategies in 2D systems.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"178 ","pages":"Article 116473"},"PeriodicalIF":2.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078771","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 : 2026-03-01Epub Date: 2026-01-08DOI: 10.1016/j.physe.2026.116465
Jagadish Kumar Galivarapu, Zengli Guo, Shangqian Wang, Zhonghao Han, Ke Wang
We investigate the thickness-dependent interfacial and magnetic properties of Ta/TbFeCo/Ta amorphous thin films with thicknesses ranging from 55 to 150 nm. A systematic increase in the compensation temperature (Tcomp) is observed as the thickness increases across this range. Magneto-Optic Kerr Effect and anomalous Hall measurements confirm that all films are Tb-rich, consistent with ferrimagnetic behavior. DC magnetization studies reveal that the perpendicular magnetic anisotropy strengthens with increasing thickness up to ∼90 nm and subsequently saturates for films thicker than 100 nm. This evolution indicates that interfacial anisotropy dominates at lower thicknesses, whereas bulk contributions become predominant at higher thicknesses. The maximum magnetic entropy change, measured at Tcomp, reaches 0.16 J kg−1 K−1 under an applied field of 1.5 T and increases with thickness. These results elucidate how interfacial coupling in Ta/TbFeCo/Ta heterostructures can be leveraged to tune compensation temperature, anisotropy, and magnetocaloric response in ferrimagnetic systems with antiferromagnetically coupled sublattices.
{"title":"Thickness-dependent interface effects on magnetic and magnetocaloric properties of Ta-capped TbFeCo amorphous thin films","authors":"Jagadish Kumar Galivarapu, Zengli Guo, Shangqian Wang, Zhonghao Han, Ke Wang","doi":"10.1016/j.physe.2026.116465","DOIUrl":"10.1016/j.physe.2026.116465","url":null,"abstract":"<div><div>We investigate the thickness-dependent interfacial and magnetic properties of Ta/TbFeCo/Ta amorphous thin films with thicknesses ranging from 55 to 150 nm. A systematic increase in the compensation temperature (T<sub>comp</sub>) is observed as the thickness increases across this range. Magneto-Optic Kerr Effect and anomalous Hall measurements confirm that all films are Tb-rich, consistent with ferrimagnetic behavior. DC magnetization studies reveal that the perpendicular magnetic anisotropy strengthens with increasing thickness up to ∼90 nm and subsequently saturates for films thicker than 100 nm. This evolution indicates that interfacial anisotropy dominates at lower thicknesses, whereas bulk contributions become predominant at higher thicknesses. The maximum magnetic entropy change, measured at T<sub>comp</sub>, reaches 0.16 J kg<sup>−1</sup> K<sup>−1</sup> under an applied field of 1.5 T and increases with thickness. These results elucidate how interfacial coupling in Ta/TbFeCo/Ta heterostructures can be leveraged to tune compensation temperature, anisotropy, and magnetocaloric response in ferrimagnetic systems with antiferromagnetically coupled sublattices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"178 ","pages":"Article 116465"},"PeriodicalIF":2.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145929067","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 : 2026-03-01Epub Date: 2026-02-02DOI: 10.1016/j.physe.2026.116478
Quezia R.D.S. Moreira , Lucas F. Ximenes , Allan R.P. Moreira , João B.R. Silva
In this work, we investigate the spectral, information-theoretic, and thermodynamic properties of a quantum particle with position-dependent mass confined in an infinite potential well. By introducing a displacement parameter that modifies the effective mass distribution, we derive exact analytical solutions for both the free and confined cases. The resulting eigenfunctions exhibit logarithmic spatial dependence, while the quantized spectrum retains a modified dispersion relation controlled by the displacement strength. We further analyze quantum-information measures, including the Shannon entropy and Fisher information, revealing how mass displacement influences spatial localization and information flow in the system. The thermodynamic quantities derived from the energy spectrum, such as the partition function, free energy, entropy, and heat capacity, show nontrivial dependence on the displacement parameter, indicating significant modifications to the thermal behavior of position-dependent mass systems. These results provide a relevant theoretical framework for strained crystals, graded semiconductors, and heterostructures where the effective mass varies spatially.
{"title":"Quantum information and thermodynamic features in position-dependent mass semiconductor heterostructures","authors":"Quezia R.D.S. Moreira , Lucas F. Ximenes , Allan R.P. Moreira , João B.R. Silva","doi":"10.1016/j.physe.2026.116478","DOIUrl":"10.1016/j.physe.2026.116478","url":null,"abstract":"<div><div>In this work, we investigate the spectral, information-theoretic, and thermodynamic properties of a quantum particle with position-dependent mass confined in an infinite potential well. By introducing a displacement parameter that modifies the effective mass distribution, we derive exact analytical solutions for both the free and confined cases. The resulting eigenfunctions exhibit logarithmic spatial dependence, while the quantized spectrum retains a modified dispersion relation controlled by the displacement strength. We further analyze quantum-information measures, including the Shannon entropy and Fisher information, revealing how mass displacement influences spatial localization and information flow in the system. The thermodynamic quantities derived from the energy spectrum, such as the partition function, free energy, entropy, and heat capacity, show nontrivial dependence on the displacement parameter, indicating significant modifications to the thermal behavior of position-dependent mass systems. These results provide a relevant theoretical framework for strained crystals, graded semiconductors, and heterostructures where the effective mass varies spatially.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"178 ","pages":"Article 116478"},"PeriodicalIF":2.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146189460","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 : 2026-03-01Epub Date: 2026-01-29DOI: 10.1016/j.physe.2026.116476
Prerona Singha, P.K. Kalita
This work presents a fully theoretical quantum-transport study of a monolayer MoS2 Photo-MOSFET under green laser illumination (532 nm) using the Non-Equilibrium Green's Function (NEGF) formalism. The model, implemented in Python, captures photoexcited carrier dynamics by incorporating light–matter interactions and recombination effects, enabling prediction of device behaviour without empirical fitting. Simulations reveal linear photocurrent–power dependence, photo gain and EQE reduction at high photon flux due to trap saturation, and dominant photogating with trap-assisted transport. Transient analysis shows sub-100 ms switching, while the spectral response peaks near 600 nm, matching the direct excitonic transition. The approach reproduces key experimental trends and provides deeper physical insight into quantum transport, trap modulation, and optical excitation in atomically thin channels. This framework offers a predictive tool for designing high-performance optoelectronic transistors, photodetectors, and light-controlled neuromorphic devices based on transition metal dichalcogenides.
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Pub Date : 2026-03-01Epub Date: 2026-01-08DOI: 10.1016/j.physe.2026.116468
Lassaad Mandhour , Frédéric Piéchon
We investigate the scattering of a three-dimensional massless Dirac particle through a domain wall separating two regions with identical energy spectra but distinct Berry curvature dipoles. We demonstrate that the quantum geometric mismatch induces partial reflection and transmission despite identical incident and refracted momenta. These results highlight the role of engineered quantum geometric interfaces as key tools to control Dirac particle scattering.
{"title":"Quantum geometric scattering of a Dirac particle by a Berry curvature domain wall","authors":"Lassaad Mandhour , Frédéric Piéchon","doi":"10.1016/j.physe.2026.116468","DOIUrl":"10.1016/j.physe.2026.116468","url":null,"abstract":"<div><div>We investigate the scattering of a three-dimensional massless Dirac particle through a domain wall separating two regions with identical energy spectra but distinct Berry curvature dipoles. We demonstrate that the quantum geometric mismatch induces partial reflection and transmission despite identical incident and refracted momenta. These results highlight the role of engineered quantum geometric interfaces as key tools to control Dirac particle scattering.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"178 ","pages":"Article 116468"},"PeriodicalIF":2.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145929070","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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