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

{"title":"Electronic transport modulation in C-57: A path toward carbon-based logic and switching devices","authors":"Leonardo Carneiro Quaresma ,&nbsp;Jonas Marinho Duarte ,&nbsp;Denner Felipe Silva Ferreira ,&nbsp;Carlos Alberto Brito da Silva Jr. ,&nbsp;Jordan Del Nero","doi":"10.1016/j.physe.2025.116340","DOIUrl":"10.1016/j.physe.2025.116340","url":null,"abstract":"<div><div>We report a comprehensive theoretical investigation of the two-dimensional carbon allotrope C-57, comprised of fused pentagonal and heptagonal rings, focusing on its electronic structure and transport properties. Using density functional theory (DFT) with SIESTA and non-equilibrium Green's function (NEGF) transport simulations via TranSIESTA, we demonstrate that pristine C-57 is intrinsically metallic, with multiple bands crossing the Fermi level and room-temperature carrier mobilities of 10³–10⁴ cm²V⁻¹s⁻¹. Edge hydrogenation opens a direct band gap of 0.437 eV, yielding semiconducting nanoribbons that exhibit negligible current below |V| ≃ 0.45 V and a sharp turn-on above threshold. Two- and three-dimensional maps of the density of states and transmission coefficients elucidate bias-tunable resonances governing conductance modulation. Comparison with other 2D carbon allotropes – such as graphdiyne and penta-graphene – highlights C-57's intermediate gap and reversible metal-to-semiconductor transition via chemical functionalization. These features position C-57 as a versatile all-carbon platform for low-voltage field-effect transistors, reconfigurable logic elements, and nanoscale sensors.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"174 ","pages":"Article 116340"},"PeriodicalIF":2.9,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144771004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Single transition-metal atom doping enhances NO2 adsorption on 1T-PtSe2 monolayer","authors":"Jiaqi Zhang ,&nbsp;Fangfang Li ,&nbsp;Jiakang Li ,&nbsp;Wenhui Han ,&nbsp;Guangwei Wang ,&nbsp;Kaixing Zhu ,&nbsp;Yan Xu ,&nbsp;Peng Wang","doi":"10.1016/j.physe.2025.116341","DOIUrl":"10.1016/j.physe.2025.116341","url":null,"abstract":"<div><div>The structural and electronic properties of monolayer 1T-PtSe₂ doped with various single transition metal (TM) atoms (Co, Ni, Cu, Mo, Rh, Pd, Ir, and Au) at selenium vacancy sites, along with their interaction with NO₂ gas molecules, have been systematically investigated using density functional theory (DFT). TM doping notably enhances the chemical reactivity and alters the electronic structure of PtSe₂, as reflected in stronger NO₂ adsorption, increased charge transfer, and the emergence of impurity states near the Fermi level. These effects are primarily attributed to the introduction of TM nd-orbitals, which facilitate molecular activation. Among the doped systems, Pd-PtSe₂ demonstrates superior gas sensing performance with a short recovery time in the 400–500 K range. These findings provide valuable theoretical guidance for designing high-efficiency gas sensors based on TM-doped PtSe₂ monolayers.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"174 ","pages":"Article 116341"},"PeriodicalIF":2.9,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144771003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Controllable spin Nernst effect of surface states in three-dimensional topological insulator film","authors":"Xin-Ning Li,&nbsp;Ning-Xuan Yang,&nbsp;Rui Wang,&nbsp;Chun-Yan Song,&nbsp;Hui Liao,&nbsp;Ting-Ting Song,&nbsp;Xue-Yan Cheng,&nbsp;Jiu-Ming Wang","doi":"10.1016/j.physe.2025.116331","DOIUrl":"10.1016/j.physe.2025.116331","url":null,"abstract":"&lt;div&gt;&lt;div&gt;We systematically investigate the spin Nernst effect (SNE) of surface states in three-dimensional topological insulator film under a perpendicular magnetic field. The spin Nernst coefficient &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; of surface states, which are lie in the quantum spin Hall regime (QSH), quantum anomalous Hall regime (QAH), and quantum pseudospin Hall regime (QPH), is theoretically calculated by using the Non-equilibrium Green’s function method combined with the square lattice model. Regardless of the presence of a magnetic field, SNE will occur in the system because it primarily arises from spin–orbit coupling. When the Fermi energy &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; crosses the discrete transverse channels, &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; exhibits a pronounced peak. The height of peak strongly depends on the temperature, decreasing with increasing temperature. In the QPH regime, &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; is an even function of &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; with &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; without applying a magnetic field. However, this the symmetrical property is destroyed when a magnetic field is applied. In the QSH and QAH regimes, &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; is also an even function of &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; in magnetic field &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;ϕ&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;. When a magnetic field is applied, &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; of QSH regime retains this symmetrical property due to protection from time-reversal symmetry. But the symmetrical property &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mrow&gt;&lt;mo&gt;(&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;E&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;)&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; is broken in the QAH regime. This is because that the combined influence of the exchange field and magnetic field breaks time-reversal symmetry, leading to the peak structure of &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;N&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; to reverse around &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"174 ","pages":"Article 116331"},"PeriodicalIF":2.9,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tunable quantum confinement under hydrostatic pressure: Exploring electronic and optical outputs in Pöschl–Teller, Razavy and Woods–Saxon potentials","authors":"M. Kavitha ,&nbsp;A. Naifar ,&nbsp;A. John Peter ,&nbsp;V. Raja","doi":"10.1016/j.physe.2025.116339","DOIUrl":"10.1016/j.physe.2025.116339","url":null,"abstract":"<div><div>To bridge the gap identified in the current literature, this comprehensive and quantitative investigation examines the tunability of excitonic spectra and light–matter interaction characteristics under hydrostatic pressure, employing three distinct confinement models: Pöschl–Teller, Razavy and Woods–Saxon potentials. The analysis is carried out within the framework of the effective mass approximation, leveraging the density matrix approach to capture the nonlinear behaviour of the resulting optical coefficients. In addition, an in-depth assessment of the parameters influencing the spatial configuration of the confinement potentials was conducted to determine their impact on oscillator strength and radiative lifetime, thereby revealing the underlying microscopic traits of each potential. This approach offers a pathway to regulate optical absorption and refractive index outputs, particularly regarding resonance peak positions and amplitudes. Our calculations revealed that for small well widths, binding energy rises steeply with pressure, whereas at larger widths, the curves decrease gradually and slightly intersect. Fixing specific confinement parameters also proved effective in amplifying the binding energy. A wider quantum well corresponds to an extended radiative lifetime, and this temporal parameter is further suppressed under elevated hydrostatic pressure. Conversely, the oscillator strength demonstrates an inverse tendency, showing notable enhancement at higher pressure values, especially under Woods–Saxon confinement where its amplification is most significant. Absorption and refractive index spectra can be effectively modulated by hydrostatic pressure and confinement-defining parameters. Pöschl–Teller potential shows blue-shifted peaks with dimensional scaling, unlike Razavy and Woods–Saxon, which exhibit red shifts. All three potentials experience red shifts and intensity loss under elevated pressure. Photobleaching is least prominent in the Razavy case under tuned conditions, but more significant in the others at equal irradiance.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"174 ","pages":"Article 116339"},"PeriodicalIF":2.9,"publicationDate":"2025-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144771005","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optoelectronic properties of two-dimensional lead-free perovskite Cs3Sb2I9/InX (X = S, Se) van der Waals heterostructures","authors":"Xinyi Shan ,&nbsp;Hongxu Liu ,&nbsp;Bingjie Ye ,&nbsp;Leyang Qian ,&nbsp;Xuekun Hong ,&nbsp;Yushen Liu ,&nbsp;Irina N. Parkhomenko ,&nbsp;Fadei F. Komarov ,&nbsp;Guofeng Yang","doi":"10.1016/j.physe.2025.116338","DOIUrl":"10.1016/j.physe.2025.116338","url":null,"abstract":"<div><div>Low-dimensional halide perovskite semiconductor materials have attracted much attention from researchers due to their unique physicochemical properties that distinguish them from conventional semiconductor materials, but most of the current low-dimensional metal halide perovskite materials contain elemental lead, which hinders their large-scale use. Here, we introduce a two-dimensional lead-free perovskite Cs₃Sb₂I₉ and further construct a Cs₃Sb₂I₉/InX (X = S, Se) heterostructure based on the density-functional theory to investigate its electrical and optical properties. The magnitude of van der Waals forces between the layers of the heterostructure was analyzed by calculating the variation of the binding energy with the layer spacing. The projected energy bands and projected density of states of the heterostructures show that both heterostructures have a type-II energy band alignment at the interface. The calculated differential charge densities show the charge transfer process in the heterostructures, and the results indicate that the charge transfer mainly occurs at the interface and the electrons mainly accumulate in the InX layer. In addition, the light absorption coefficient and dielectric function of the heterostructure are significantly improved compared with those of the isolated material. Especially in the ultraviolet (UV) region, the peak absorption coefficient of the heterojunction can reach 4.16 × 10⁵ cm⁻¹. Subsequently, the response behavior of the heterostructure devices to different wavelengths of incident light was investigated, and the two devices showed peak responsivity of 21 mA/W and 34 mA/W at 3.4 eV and 3.95 eV, respectively. The results of our study suggest that the Cs₃Sb₂I₉/InX (X = S, Se) heterostructure has the potential to be applied in UV photodetector devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"174 ","pages":"Article 116338"},"PeriodicalIF":2.9,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144749031","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantitative analysis of lithium compounds on the electrode surface and electrical conductivity with pure CNT effects for Li-ion capacitor application","authors":"Latiful Kabir ,&nbsp;Chang-Min Yoon ,&nbsp;Sunhye Yang ,&nbsp;Ick-Jun Kim ,&nbsp;Won-Chun Oh","doi":"10.1016/j.physe.2025.116337","DOIUrl":"10.1016/j.physe.2025.116337","url":null,"abstract":"<div><div>In the case of lithium-ion capacitors (LIC), power density or rate performance is greatly limited by conductive materials due to differences in ion and electron conduction mechanisms. Due to the surface modification, different functional groups are generated, which is confirmed that these lithium salts were formed by the reaction of lithium with the functional group present on the surface of the electrode material. The functional group of lithium compound was confirmed from the chemical analysis results, and possible structures were proposed for them through simulation. In addition, the correlation between the amounts of lithium compounds formed on the electrode and electrical conductivity was studied using four types of electrodes according to the content of CNT. We analyzed using powdered X-ray diffraction (XRD), Raman spectroscopy, XPS, FTIR, SEM, TEM, Cyclic voltammetry (CV), and various electrochemical experiments. According to the YPCNT 15 results, it has good adsorption pore width that strongly impacts the effectiveness of adsorption and kinetics. Increased amount of MWCNTs (YPCNT 15) to extensively impact on the current density range 0.45 (ma/cm²) and excellent rate of performance with the density of 29 (Wh/g) and capacitance 0.45 (F/g) that enhance as the insertion and deinsertion of Li-ions. Furthermore, it was proved that the characteristics are improved through evaluation of their characteristics. From the results of comparing the electrochemical properties of the manufactured half-cell, YPCNT15 showed improved results in all the measured result values depending on the content of the added CNT.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116337"},"PeriodicalIF":2.9,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144711235","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles calculations of electronic and optical properties of tetragonal ZnxCd1-xSe ternary monolayers","authors":"Yonglong Pan,&nbsp;Jia Zhou","doi":"10.1016/j.physe.2025.116336","DOIUrl":"10.1016/j.physe.2025.116336","url":null,"abstract":"<div><div>Alloying is a common approach for band gap engineering in semiconductors, allowing for systematic tuning of the band gap based on the alloy composition. The tetragonal ZnSe monolayers exhibit a pronounced quantum confinement effect, leading to a band gap increase compared to their zinc blende bulk counterparts. This study examines the electronic and optical properties of tetragonal Zn_<em>x</em>Cd_1-<em>x</em>Se monolayers through first-principles calculations. Our findings demonstrate that these alloy monolayers exhibit direct band gap semiconducting behavior with tunable band gaps, making them promising candidates for ultraviolet–visible light-driven water splitting. Theoretical optical absorbance calculations further suggest that the Zn_0.5Cd_0.5Se and Zn_0.625Cd_0.375Se alloy monolayers outperform pristine ZnSe and CdSe monolayers in terms of absorption performance at certain wavelengths within the visible light region. Conversely, the Zn_0.375Cd_0.625Se monolayer exhibits superior absorption performance compared to pristine ZnSe and CdSe monolayers at specific wavelengths within the ultraviolet light region. These findings provide new insights into the alloy engineering of tetragonal ZnSe and CdSe monolayers, highlighting their potential for diverse optoelectronic applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116336"},"PeriodicalIF":2.9,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144694693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Stacking-dependent phonon scattering and low-dimensional thermal transport in bilayer PtX2 (X = S, Se): A first-principles study","authors":"Je Young Ahn ,&nbsp;Ji Hoon Shim ,&nbsp;Massoud Kaviany","doi":"10.1016/j.physe.2025.116335","DOIUrl":"10.1016/j.physe.2025.116335","url":null,"abstract":"<div><div>We present a comprehensive study of the thermal transport properties of bilayer PtX₂ (X = S, Se) with focus on the influence of stacking configurations and interlayer interactions. Two common stacking orders (AA and AB) were investigated with the first-principles calculations of phonon dispersions, group velocities, and scattering rates. These structural differences affect the phonon spectra, and exhibit characteristic shifts in the group velocities. Thermal transport calculations using both the relaxation time approximation and the full linearized Boltzmann transport equation reveal that the relaxation time approximation underestimates thermal conductivities, due to its limited treatment of normal scattering processes which are more distinct in the AA stacking as a consequence of strong interlayer interactions. Mode-dependent and cumulative thermal conductivity analyses elucidate the individual contributions of the different phonon modes and frequency ranges to the thermal transport properties.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116335"},"PeriodicalIF":2.9,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144702748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Inverse design of plasmon-induced transparency in stripe-circular aggregate stacking arrays via deep learning with fewer feature points","authors":"Zhengchao Ma ,&nbsp;Boxun Li ,&nbsp;Lili Zeng ,&nbsp;Yang Fan ,&nbsp;Yuanwen Deng ,&nbsp;Genxiang Zhong ,&nbsp;Zhengzheng Shao ,&nbsp;Haiqing Xu","doi":"10.1016/j.physe.2025.116334","DOIUrl":"10.1016/j.physe.2025.116334","url":null,"abstract":"<div><div>Optical metasurfaces offer compact and efficient light manipulation, finding applications in imaging and radar technologies. However, conventional electromagnetic simulation methods, even for simple structural designs, possess an almost infinite design space, necessitating considerable time investment. Rapidly advancing deep learning has emerged as an implementable means in many cutting-edge fields, also aiding metasurface design. In this study, a dataset of stripe-circular aggregate stacking arrays metasurfaces with Plasmon-Induced Transparency (PIT) is created by altering geometric parameters. A neural network is constructed to learn the mapping relationships of Rigorous Coupled Wave Analysis (RCWA). The Asymmetric Generative Adversarial Network (AGANs), which breaks the symmetry of the layer structure in traditional GANs, has been successfully verified to precisely and distinctly design metasurface geometries in the shortwave spectrum using merely 101 feature points. This affirmation showcases the AGAN's outstanding capability to maintain high accuracy with fewer feature data, while also enhancing computational speed by 45000 times, thereby achieving the desired result in a mere 3 s. This work elucidates the PIT phenomenon in metasurface structures and reveals that this structure can achieve optical switching, dual transparency windows, and an ultra-narrow strict waveband selection from dual to single transparency windows by changing the polarization state. Overall, this research aims to provide a network reference for inverse design to address issues of reduced accuracy and indistinct structural differences due to fewer feature points, while also offering insights for the design philosophy of PIT.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116334"},"PeriodicalIF":2.9,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144670504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermoelectric enhancement in C3N monolayer via external parameter modulation: Strain, doping, and magnetic fields","authors":"Soleimani Maryam ,&nbsp;Astinchap Bander ,&nbsp;Abdi Mona ,&nbsp;Alemipour Zahra","doi":"10.1016/j.physe.2025.116332","DOIUrl":"10.1016/j.physe.2025.116332","url":null,"abstract":"<div><div>The search for high-performance thermoelectric materials is crucial for advancing energy conversion technologies. In this work, we unveil the remarkable thermoelectric properties of the C₃N monolayer, a two-dimensional (2D) material with a tunable band gap of 0.36 eV. Using a combination of the tight-binding model and Green's function approach, we systematically explore the effects of tensile strain, electron doping, and transverse magnetic fields on key transport properties, including the Seebeck coefficient, thermal conductivity, and thermoelectric figure of merit (ZT). Our findings reveal that moderate tensile strain (ϵ = 0.1) significantly enhances ZT, while excessive strain (ϵ = 0.13) deteriorates efficiency due to increased electron scattering. Notably, electron doping optimizes the Seebeck coefficient and enhances thermoelectric performance by increasing carrier concentration. Furthermore, we demonstrate that a transverse magnetic field induces a semiconductor-to-semimetal transition by lowering the band gap, offering a new degree of tunability for electronic and thermoelectric applications. These insights not only establish C₃N as a promising candidate for next-generation thermoelectric devices but also open new avenues for engineering 2D materials with optimized energy conversion capabilities.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"173 ","pages":"Article 116332"},"PeriodicalIF":2.9,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144680678","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}