Physica E-low-dimensional Systems & Nanostructures最新文献_第2页

Predicting BN analogue of 8-16-4 graphyne: In silico insights into its structural, electronic, optical, and thermal transport properties

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116163

Isaac M. Felix , Jessé M. Pontes , Djardiel S. Gomes , Thiago B.G. Guerra , Sérgio Azevedo , Leonardo D. Machado , Lídia C. Gomes , Raphael M. Tromer

{"title":"Predicting BN analogue of 8-16-4 graphyne: In silico insights into its structural, electronic, optical, and thermal transport properties","authors":"Isaac M. Felix , Jessé M. Pontes , Djardiel S. Gomes , Thiago B.G. Guerra , Sérgio Azevedo , Leonardo D. Machado , Lídia C. Gomes , Raphael M. Tromer","doi":"10.1016/j.physe.2024.116163","DOIUrl":"10.1016/j.physe.2024.116163","url":null,"abstract":"<div><div>The boron nitride (BN) analogue of 8-16-4 graphyne, termed SBNyne, is proposed for the first time. Its physical properties were explored using first-principles calculations and classical molecular dynamics (MD) simulations. Phonon dispersion calculations and <em>ab initio</em> molecular dynamics simulations revealed that this system is dynamically stable at room temperature. We found that SBNyne exhibits a wide indirect bandgap of 4.58 eV using HSE06 and 3.20 eV using PBE. It displays strong optical absorption in the ultraviolet region while remaining transparent in the infrared and visible regions. Additionally, SBNyne exhibits significantly lower thermal conductivity compared to h-BN. Phonon spectrum analysis indicates that out-of-plane phonons predominantly contribute to the vibrational density of states only at very low frequencies, explaining its low thermal conductivity. These findings expand the knowledge of two-dimensional (2D) BN materials and open new avenues for their design and advanced technological applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116163"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158540","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}

引用次数: 0

Intrinsic spin–orbit interaction in ferromagnet/superconductor hybrid nanostructures: Unveiling the role in triplet generation and critical temperature modulation

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116162

Asif Majeed , Harkirat Singh

{"title":"Intrinsic spin–orbit interaction in ferromagnet/superconductor hybrid nanostructures: Unveiling the role in triplet generation and critical temperature modulation","authors":"Asif Majeed , Harkirat Singh","doi":"10.1016/j.physe.2024.116162","DOIUrl":"10.1016/j.physe.2024.116162","url":null,"abstract":"<div><div>Recent theoretical advancements propose an innovative approach to induce triplet generation beyond the conventional inhomogeneous magnetic field-driven singlet–triplet conversion. Here, we investigate a hybrid nanostructure comprising a conventional BCS superconductor proximitized with a homogeneous ferromagnet possessing intrinsic spin–orbit coupling arising from broken symmetries due to lattice mismatch at the interface. Through extensive simulations, we explore the impact of spin–orbit interaction on the critical temperature, revealing the pivotal role played by the in-plane component of the magnetic exchange field and the dimensional characteristics of the hybrid system in singlet–triplet conversion. Remarkably, our findings demonstrate that a single homogeneous ferromagnet with intrinsic spin–orbit coupling governs triplet generation and exhibits a spin valve effect. Notably, we quantify our observations through the superconducting critical temperature (<span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span>), showcasing a spin-valve like functionality dependent on the orientation of magnetization. Moreover, we observe a significant reduction in the critical temperature of the hybrid structure, even reaching zero under specific dimensions, attributed to the controlled generation and regulation of spin-1 triplets. Crucially, our investigation also validates the notion of the mechanism where a <span><math><mfrac><mrow><mi>π</mi></mrow><mrow><mn>2</mn></mrow></mfrac></math></span> rotation of the in-plane magnetic exchange field toggles superconductivity, offering a promising avenue for actively controlling triplet generation—a pivotal step towards high-performance storage devices in emerging superconducting spintronics applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116162"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158542","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}

引用次数: 0

Valley-dependent damping of Zitterbewegung in 2D structures based on Dirac crystals

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116164

E.I. Kukhar , S.V. Kryuchkov

引用次数: 0

Ag/Co3O4 nanocomposites from ZIF-67 MOF for enhanced low-temperature toluene gas sensing

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116174

W.J. Wu , Bo Hong , Jingcai Xu , Xiaoling Peng , Jing Li , Hongwei Chen , Shi Qiu , Nan Zhang , Xinqing Wang

{"title":"Ag/Co3O4 nanocomposites from ZIF-67 MOF for enhanced low-temperature toluene gas sensing","authors":"W.J. Wu , Bo Hong , Jingcai Xu , Xiaoling Peng , Jing Li , Hongwei Chen , Shi Qiu , Nan Zhang , Xinqing Wang","doi":"10.1016/j.physe.2024.116174","DOIUrl":"10.1016/j.physe.2024.116174","url":null,"abstract":"<div><div>Porous Co<sub>3</sub>O<sub>4</sub> nanostructures are synthesized through thermolysis of ZIF-67 MOF, and then Ag nanoparticles are loaded into Co<sub>3</sub>O<sub>4</sub> nanostructures to obtain Ag/Co<sub>3</sub>O<sub>4</sub> nanocomposites. All results indicate that Ag-loading increases the specific surface area and bandgap of Ag/Co<sub>3</sub>O<sub>4</sub> nanocomposites, as the result, the toluene gas sensing performance is also improved greatly. Among them, Ag<sub>0.126</sub>-Co<sub>3</sub>O<sub>4</sub> sensor exhibits the highest response value of 520.60 to 100 ppm toluene gas at 150 °C, which is 21.28 times than that of Co<sub>3</sub>O<sub>4</sub> sensor. Notably, the optimal operating temperature of Ag/Co<sub>3</sub>O<sub>4</sub> sensors decreases from 230 °C to 150 °C due to the excellent catalytic activity of Ag nanoparticles. Moreover, Ag/Co<sub>3</sub>O<sub>4</sub> sensors display the excellent selectivity and favorable stability to toluene gas. Ag nanoparticles lead to the formation of Schottky heterojunctions, increasing the resistance in toluene gas. Furthermore, Ag nanoparticles provide more oxygen adsorption sites, reducing the resistance in air. Based on the synergistic effect of chemical sensitization, spillover effect, high specific surface area and Schottky heterojunctions, Ag-loading can enhance the toluene gas sensing performance of Ag/Co<sub>3</sub>O<sub>4</sub> sensors.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116174"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158218","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}

引用次数: 0

Prediction of thermoelectric properties for monolayer BiSbTeSe2

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116167

Bin Xu , Wenxu Zhao , Linxin Zuo , Cheng Qian , Shanshan Ma , Yusheng Wang , Xiujiang Dong , Lin Yi

{"title":"Prediction of thermoelectric properties for monolayer BiSbTeSe2","authors":"Bin Xu , Wenxu Zhao , Linxin Zuo , Cheng Qian , Shanshan Ma , Yusheng Wang , Xiujiang Dong , Lin Yi","doi":"10.1016/j.physe.2024.116167","DOIUrl":"10.1016/j.physe.2024.116167","url":null,"abstract":"<div><div>The full-potential linearized augmented plane wave method and the semi-classical Boltzmann theory are used to calculate the thermoelectric properties of monolayer BiSbTeSe<sub>2</sub>. For the monolayer BiSbTeSe<sub>2</sub>, the Tran-Blaha-modified Becke-Johnson (TB-mBJ) method calculates a larger band gap than that calculated by the generalized gradient approximation (GGA) method. Where the bandgap calculated by TB-mBJ is 0.94, while the bandgap calculated by GGA is 0.85. The absence of imaginary frequencies in the monolayer BiSbTeSe<sub>2</sub> phonon band structure ensures its dynamic stability. The contribution of the optical branch to the lattice thermal conductivity is low due to the strong scattering of the optical branch. So the contribution to the lattice thermal conductivity mainly comes from the acoustic branch. The maximum frequency of the acoustic branch is 1.8. The monolayer BiSbTeSe<sub>2</sub> has a low lattice thermal conductivity due to the low frequency of the acoustic branch. AIMD simulations confirm its thermal stability. Finally, the ZT value of monolayer BiSbTeSe<sub>2</sub> is calculated using TB-mBJ to peak at about 0.98 at a carrier concentration of 2 × 10<sup>20</sup> cm<sup>−3</sup> and a temperature of 1125 K. The ZT value of monolayer BiSbTeSe<sub>2</sub> is calculated using TB-mBJ.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116167"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158213","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}

引用次数: 0

Stacking pattern effects on the charge carrier dynamics of the MoS2/BSe heterostructure

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116166

Mengyan Zhang, Shuhong Ma, Zhaoyong Jiao

引用次数: 0

Effect of Stone–Wales defect on the electronic and thermoelectric properties of armchair edge germanene nanoribbons

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116169

Reza Kalami

{"title":"Effect of Stone–Wales defect on the electronic and thermoelectric properties of armchair edge germanene nanoribbons","authors":"Reza Kalami","doi":"10.1016/j.physe.2024.116169","DOIUrl":"10.1016/j.physe.2024.116169","url":null,"abstract":"<div><div>The electronic and thermoelectric properties of germanene armchair-edge nanoribbons (GeNRs) with Stone–Wales (SW) defects are comprehensively investigated. By computing the band structures for nanoribbons of varying widths (<em>N</em> = 5, 6, and 7), I observe that SW defects can modulate the electronic properties, particularly the bandgap, in a width-dependent manner. The density of states (DOS) and transmission function analyses confirm these changes, showing that SW defects introduce scattering centers that affect charge carrier mobility. The voltage-current characteristics reveal a negative differential resistance (NDR) phenomenon in SW-defected GeNRs, indicating potential applications in non-linear electronic devices. Furthermore, the thermoelectric properties, as assessed by the Seebeck coefficient (<em>S</em>) and electronic figure of merit (<em>ZT</em><sub><em>e</em></sub>), show that SW defects can significantly enhance the <em>ZT</em><sub><em>e</em></sub> value, particularly for the <em>N</em> = 6 width, where <em>ZT</em><sub><em>e</em></sub> increases by approximately three times. These findings underscore the potential of SW defects to tailor the electronic and thermoelectric properties of germanene nanoribbons for specific applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116169"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158543","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}

引用次数: 0

Linear and third-order nonlinear optical properties of Germanene nanotubes

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116171

Raad Chegel

{"title":"Linear and third-order nonlinear optical properties of Germanene nanotubes","authors":"Raad Chegel","doi":"10.1016/j.physe.2024.116171","DOIUrl":"10.1016/j.physe.2024.116171","url":null,"abstract":"<div><div>This study presents a comprehensive computational investigation of linear and nonlinear optical properties, including third harmonic generation, intensity-dependent refractive index, and DC Kerr effect, of zigzag Germanene nanotubes (GeNTs) with different radii. Calculations were performed using the tight-binding model, beyond the Dirac cone approximation. The linear optical susceptibility spectra reveal a distinct, radius-independent peak in the ultraviolet region, originating from dipole-allowed transitions across the entire Brillouin zone. Remarkably, the nonlinear optical response exhibits multiple resonant peaks below the band gap in the infrared regime, arising from one-, two-, and three-photon processes between valence and conduction states. The third-order nonlinear susceptibility demonstrates a strong dependence on the nanotube radius, with a red-shift in peak positions and an enhancement in peak intensities for larger radii. Variations in intensity and peak position are attributed to the distinct electronic structures of the GeNTs. These findings provide valuable insights into the design and optimization of GeNT-based nonlinear optical devices, enabling potential applications in frequency conversion, optical switching, and advanced photonic technologies.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116171"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158214","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}

引用次数: 0

Nonpolar optical bound polaron in an asymmetrical Gaussian confinement potential quantum well under magnetic field

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116173

F. Manfouo , S.L. Dongmo Tedo , S.J. Nobosse Nguemeta , B. Donfack , S.C.N. Nguemasson , J.V. Nguepnang , A.J. Fotue

{"title":"Nonpolar optical bound polaron in an asymmetrical Gaussian confinement potential quantum well under magnetic field","authors":"F. Manfouo , S.L. Dongmo Tedo , S.J. Nobosse Nguemeta , B. Donfack , S.C.N. Nguemasson , J.V. Nguepnang , A.J. Fotue","doi":"10.1016/j.physe.2024.116173","DOIUrl":"10.1016/j.physe.2024.116173","url":null,"abstract":"<div><div>The properties of weak coupling optical deformation potential (ODP) bound polaron in asymmetrical Gaussian confinement potential quantum well (AGCPQW) in the presence of magnetic field (MF) has been examined. The ground state energy (GSE) and the ground state binding energy (GSBE) of ODP bound polaron are calculated following Lee-Low (LLP) Pines approach. The influence of MF, the height of AGCPQW, the electron-phonon (e-p) coupling constant and Debye cut-off wavenumber (DCOW) on the GSE and the GSBE are also studied. It is shown that the GSE is a decreasing function of height of AGCPQW, e-p coupling constant, Coulombic potential and DCOW. In addition it is an expanding function of the height of AGCPQW. We also found that the GSBE enhanced with height of AGCPQW, e-p coupling strength, Coulombic potential and DCOW, whereas it is a decayed one of the cyclotron frequency. At some critical points the GSE is equal to the GSBE meaning that the free electron and phonon behave as a double polaron helpful for the comprehension of the superconductivity. It is found that the modulation of the height of AGCPQW, the cyclotron frequency, e-p coupling constant and DCOW lead to the control of the properties of the ODP bound polaron in AGCPQW.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116173"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158217","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}

引用次数: 0

Strain enhanced thermoelectric performance of Lu2CF2 MXene

IF 2.9 3区物理与天体物理

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-02-01 DOI: 10.1016/j.physe.2024.116168

Gourav Rana, Chandan Bera

{"title":"Strain enhanced thermoelectric performance of Lu2CF2 MXene","authors":"Gourav Rana, Chandan Bera","doi":"10.1016/j.physe.2024.116168","DOIUrl":"10.1016/j.physe.2024.116168","url":null,"abstract":"<div><div>The thermoelectric performance of Lu<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>CF<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> MXene monolayer under biaxial tensile strain is explored using the first-principles method and Boltzmann transport theory. Biaxial strain enhances the electron–phonon relaxation time, leading to elevated electrical conductivity and increasing the thermoelectric power factor (PF). Specifically, the PF of n-type Lu<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>CF<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> rises from 4.6 mW/mK<sup>2</sup> to 13.7 mW/mK<sup>2</sup> when subjected to a 4% biaxial tensile strain at 700 K, showing an almost threefold increase. Similarly, for p-type, the PF increases to 8.2 mW/mK<sup>2</sup> from 3.9 mW/mK<sup>2</sup>, which is more than double. The modulation of lattice thermal conductivity (<span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>l</mi></mrow></msub></math></span>) also occurs under tensile strain conditions. The <span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>l</mi></mrow></msub></math></span> at 300 K, also decreases to 16.2 Wm<sup>−1</sup>K<sup>−1</sup> from 88 Wm<sup>−1</sup>K<sup>−1</sup> under 6% tensile strain, indicating an approximately 81.5% reduction. The combination of higher PF and lower <span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>l</mi></mrow></msub></math></span> results in a significant enhancement in the thermoelectric figure of merit (ZT), increasing it from 0.07 to 0.68 for n-type and from 0.06 to 0.63 for p-type at 700 K. The ZT sees an almost tenfold increase compared to the strain-free scenario, indicating that biaxial tensile strain can effectively enhance the thermoelectric efficiency of the monolayer of Lu<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>CF<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116168"},"PeriodicalIF":2.9,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143158212","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}

引用次数: 0