{"title":"Impact of strain and electron–phonon coupling on thermoelectric performance of Germanene","authors":"Neelesh Gupta , Anup Shrivastava , Jost Adam","doi":"10.1016/j.physe.2024.116150","DOIUrl":"10.1016/j.physe.2024.116150","url":null,"abstract":"<div><div>This manuscript describes the thermoelectric properties of monolayer germanene under the influence of biaxial strain using the combined approach of ab initio and semi-classical Boltzmann transport theory. To achieve excellent precision in the estimation of the thermoelectric behavior of strained germanene, the research delves into the temperature-dependent scattering time, particularly emphasizing the electron–phonon coupling effect. Incorporating both optical and acoustic phonons is always crucial and key for precisely estimating the scattering time, surpassing the limitations of the deformation potential approximation method. By examining the impact of strain on monolayer germanene and accounting for its scattering time, this approach provides a more practical means of gauging the thermoelectric performance of germanene under the presence of bi-axial strain. Moreover, the study extends its analysis to doped germanene with bi-axial strain, employing the rigid band approximation to investigate its thermoelectric performance. The research extensively estimates the transport properties for both intrinsic and extrinsic germanene, utilizing the hybrid functional HSE06. Additionally, the lattice thermal conductivity of germanene is estimated and compared for the strained and unstrained conditions. The analysis of thermal conductivity involves considering the effects of group velocity and phonon scattering time, providing insights into the nature of heat transport in strained germanene systems. Overall, this comprehensive study contributes to a deeper understanding of the thermoelectric properties of germanene under strain and lays the foundations for potential applications in electronic and thermal devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116150"},"PeriodicalIF":2.9,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142745056","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}
Hai-Bin Xue, Xiao-Yan Ma, Bin Chen, Jian-Bin Chen, Li-Li Xing
{"title":"Probing the magnitude of Rashba spin–orbit coupling in a double quantum dot system via finite-frequency shot noise","authors":"Hai-Bin Xue, Xiao-Yan Ma, Bin Chen, Jian-Bin Chen, Li-Li Xing","doi":"10.1016/j.physe.2024.116159","DOIUrl":"10.1016/j.physe.2024.116159","url":null,"abstract":"<div><div>In the coupled quantum dot (QD) system, the electrical manipulation of spin degree of freedom of electron based on the spin–orbit coupling (SOC) is one of the important research fields for QD-based spintronic devices. Consequently, how to quantitatively extract the magnitude of the SOC of the coupled QD system is an important issue. Here, we study the finite-frequency shot noise of electron transport through a serially coupled double QD system with Rashba SOC. It is demonstrated that the existence of peaks and dips of the finite-frequency shot noise originates from the quantum coherence of the serially coupled double QD system, and the positions of the peaks and dips are determined by the differences between the energy eigenvalues of the coherent singly-occupied eigenstates that forming the off-diagonal elements of the reduced density matrix. In particular, when the degeneracy of the differences between the energy eigenvalues of the coherent singly-occupied eigenstates equals one, the finite-frequency shot noise shows a peak, whereas the degeneracy equals two, the finite-frequency shot noise shows a dip. Moreover, the spin polarization of the electrodes and the QD-electrode coupling strength have almost no influence on the positions of the peaks and dips, but have some influences on the width and values of peaks and dips. Therefore, the magnitude of the Rashba SOC and the spin-conservation hopping strength can be quantitatively determined by the positions of peaks and dips of the finite-frequency shot noise.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116159"},"PeriodicalIF":2.9,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142745057","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":"Formation of vanadium dioxide nanocrystal arrays via post-growth annealing for stable and energy-efficient switches","authors":"K.E. Kapoguzov , S.V. Mutilin , N.I. Lysenko , V.N. Kichay , L.V. Yakovkina , B.V. Voloshin , V.A. Seleznev","doi":"10.1016/j.physe.2024.116165","DOIUrl":"10.1016/j.physe.2024.116165","url":null,"abstract":"<div><div>The abrupt and reversible semiconductor-metal phase transition in vanadium dioxide nanocrystals has attracted considerable attention for potential applications in oxide electronics, including neuromorphic systems. This study presents a systematic investigation of post-growth annealing conditions for the formation of single VO<sub>2</sub> M-phase nanocrystals arrays from VO<sub>x</sub> films synthesized by atomic layer deposition. The composition of the initial VO<sub>x</sub> films and the annealing parameters were found to significantly affect the morphology, phase composition and electrical properties of the obtained single nanocrystal arrays. Our results demonstrate that the formation of VO<sub>2</sub> M-phase nanocrystal arrays occurs at annealing temperatures of 650 °C and above, irrespective of the initial film composition. More homogeneous in size nanocrystals are formed from initial VO<sub>x</sub> films with higher V<sup>+4</sup> content. The structures with the initial V<sup>+4</sup> content of 60 % annealed at 650 °C for 2 h demonstrates the resistive switching with an energy less than 150 fJ, and a total number of stable switching cycles more than 10<sup>1</sup>⁰. Our results pave the way for the novel energy-efficient nanoelectronic and nanophotonic devices based on VO₂ nanoparticles.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116165"},"PeriodicalIF":2.9,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142745058","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}
Mengshi Zhou , Zhentao Fu , Jin Li , Chunxiao Zhang , Chaoyu He , Tao Ouyang , Chao Tang , Jianxin Zhong
{"title":"First-Principles prediction of Janus γ-Ge2STe as a potential multifunctional material for photocatalysts, photovoltaic, and piezoelectric applications","authors":"Mengshi Zhou , Zhentao Fu , Jin Li , Chunxiao Zhang , Chaoyu He , Tao Ouyang , Chao Tang , Jianxin Zhong","doi":"10.1016/j.physe.2024.116151","DOIUrl":"10.1016/j.physe.2024.116151","url":null,"abstract":"<div><div>Two-dimensional Janus nanomaterials have been demonstrated great potentail applications in high-performance multifunctional devices due to their asymmetric structural characteristics. In this study, we propose a monolayer Janus γ-Ge<sub>2</sub>STe and have studied its electronic, transport, optical, and piezoelectric properties by first-principles calculations. The results show that the Janus structure γ-Ge<sub>2</sub>STe is an indirect bandgap semiconductor with intrinsic 'Mexican hat' energy band dispersion pattern and possesses excellent optical performance with high absorbance and photocurrent. Due to the intrinsic electric dipole and suitable band edges, γ-Ge<sub>2</sub>STe exhibits strong solar hydrogen production efficiency (η<sub>STH =</sub> 20.39 %), which can also be enhanced to 24.48 % by the in-plane tensile strain effectively. Remarkably, owing to the breaking of inversion symmetry, γ-Ge<sub>2</sub>STe reveals a strong piezoelectric response (d<sub>11</sub> = 14.02 pm/V) under the piezoelectric stress-strain coefficient. The diverse characteristics of monolayer Janus γ-Ge<sub>2</sub>STe, coupled with its overall stability (thermal, dynamic, and mechanical), highlight its potential multifunctional applications in catalysts, nanoelectronics, photovoltaics, and piezoelectrics.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"167 ","pages":"Article 116151"},"PeriodicalIF":2.9,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142698792","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":"Resonant spin dynamics of 2D electrons with strong Rashba and Zeeman couplings","authors":"M.A. Rakitskii , K.S. Denisov , I.V. Rozhansky , N.S. Averkiev","doi":"10.1016/j.physe.2024.116147","DOIUrl":"10.1016/j.physe.2024.116147","url":null,"abstract":"<div><div>Two-dimensional (2D) systems enable enhancing and diversifying the spin–orbit coupling of carriers, a key factor for better charge–spin conversion efficiencies in modern spintronic devices. Increasing 2D spin interactions also modifies dynamical spin-dependent properties of 2D materials, enabling to display resonant phenomena. In this work we focus on dynamical properties of the charge–spin conversion and analyze the resonant spin dynamics of 2D electrons upon strong spin–orbit coupling and Zeeman spin splittings, possibly exceeding the inverse relaxation times of electrons. We derive resonant frequencies and relaxation rates from the Bloch kinetic equations and examine how the trajectories of spin susceptibility poles change with variations in spin splittings and the relaxation time, paying special attention to the interplay between competing Rashba and Zeeman effect.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"166 ","pages":"Article 116147"},"PeriodicalIF":2.9,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142703824","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":"GST and BFO assisted microring resonator for nanoplasmonic applications","authors":"Diksha Chauhan , Zen Sbeah , Vishal Sorathiya , Amita Verma , Ram Prakash Dwivedi","doi":"10.1016/j.physe.2024.116149","DOIUrl":"10.1016/j.physe.2024.116149","url":null,"abstract":"<div><div>In this paper a Metal-Insulator-Metal configuration based electro-optic microring resonator is designed and simulated by using Bismuth Ferrite and Germanium Antimony Telluride for wavelength filtering, switching and modulator applications. The device works on the phenomena of change in refractive index of the active materials when electric field is applied. Initially, switching and filtering is demonstrated by using bismuth ferrite as an active material inside the ring resonator. Later on, an additional layer of GST is added to the ring resonator resulting in increased light confinement inside the ring resonator in the amorphous state of GST layer. Due to this, resonant dips sharpens which improves the quality factor of the device up to 154. By optimizing the device's structural parameters, a modulation depth of 23.11 dB is achieved with a low loss of 1.6 dB. Additionally, these innovative SPPs plasmonic waveguide structures can accommodate various filtering requirements and have good filtering efficiency.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"166 ","pages":"Article 116149"},"PeriodicalIF":2.9,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659501","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":"Josephson and thermophase effect in interacting T-shaped double quantum dots system","authors":"Bhupendra Kumar, Sachin Verma, Ajay","doi":"10.1016/j.physe.2024.116142","DOIUrl":"10.1016/j.physe.2024.116142","url":null,"abstract":"<div><div>This article theoretically analyzes the phase and thermal driven transport properties in a T-shaped double quantum dot Josephson junction. We began by investigating the Josephson current for different on-dot Coulomb interaction on central quantum dot and interdot-tunneling between quantum dots. Josephson current exhibits <span><math><mrow><mn>0</mn><mo>−</mo><mi>π</mi></mrow></math></span> phase transition for intermediate Coulomb interaction to dot-lead coupling ratio with quantum dots energy level below the Fermi level. The Josephson current exhibits complete <span><math><mi>π</mi></math></span>-phase in doublet regime for relatively large Coulomb interaction to dot-lead coupling ratio. The interdot-tunneling destroys the <span><math><mi>π</mi></math></span> region and shifts the <span><math><mrow><mn>0</mn><mo>−</mo><mi>π</mi></mrow></math></span> transition points depending on the position of quantum dot energy levels. Further, depending on the position of central quantum dot energy level and Coulomb interaction strength, Josephson current shows Fano types symmetric and asymmetric line shapes with a Fano dip at the Fermi level of side dot. Next, we demonstrated that with increasing thermal energy, the discontinuity in the Josephson current smeared and becomes sinusoidal. Finally, the total current (Josephson current+quasi-particle current) is analyzed by applying a finite temperature biasing across the junction. The system is examined in electrically open circuit configuration, where phase driven Josephson current and thermal driven quasi-particle cancels each other, and analyze the thermophase Seebeck effect in linear response region. At the <span><math><mrow><mn>0</mn><mo>−</mo><mi>π</mi></mrow></math></span> transition points, where the Josephson current shows discontinuities, the thermal gradient produces abrupt thermophase Seebeck coefficient (TPSC) peaks, and the strength of interdot-tunneling provides great control over these abrupt TPSC peaks.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"166 ","pages":"Article 116142"},"PeriodicalIF":2.9,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659497","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}
Abdullah Guvendi , Semra Gurtas Dogan , Omar Mustafa , Kobra Hasanirokh
{"title":"Photonic modes in twisted graphene nanoribbons","authors":"Abdullah Guvendi , Semra Gurtas Dogan , Omar Mustafa , Kobra Hasanirokh","doi":"10.1016/j.physe.2024.116146","DOIUrl":"10.1016/j.physe.2024.116146","url":null,"abstract":"<div><div>This study investigates the behavior of photonic modes in twisted graphene nanoribbons (TGNRs) using an analytical approach based on solving the fully covariant vector boson equation. We present a model that demonstrates how helical twisting in TGNRs significantly affects the evolution of photonic modes. Our analytical solutions yield detailed expressions for mode profiles, energy spectra, and decay characteristics. We find that increasing the twist parameter shortens the decay times (<span><math><msub><mrow><mi>τ</mi></mrow><mrow><mi>n</mi><mi>s</mi></mrow></msub></math></span>) for damped modes, indicating enhanced photonic coupling due to the twisted geometry. Conversely, longer nanoribbons (NRs) exhibit increased decay times, showing a length (<span><math><mi>L</mi></math></span>)-dependent effect, where <span><math><mrow><msub><mrow><mi>τ</mi></mrow><mrow><mi>n</mi><mi>s</mi></mrow></msub><mo>∝</mo><mi>L</mi><mo>/</mo><mi>c</mi></mrow></math></span>, with <span><math><mi>c</mi></math></span> representing the speed of light. These findings may enhance the understanding of light control in nanostructures and suggest potential applications in tunable photonic devices, topological photonics, and quantum optical systems.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"166 ","pages":"Article 116146"},"PeriodicalIF":2.9,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659502","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}
D. Martínez , P.A. Orellana , L. Rosales , J. Dolado , M. Amado , E. Diez , F. Domínguez-Adame , R.P.A. Lima
{"title":"Uncovering bound states in the continuum in InSb nanowire networks","authors":"D. Martínez , P.A. Orellana , L. Rosales , J. Dolado , M. Amado , E. Diez , F. Domínguez-Adame , R.P.A. Lima","doi":"10.1016/j.physe.2024.116145","DOIUrl":"10.1016/j.physe.2024.116145","url":null,"abstract":"<div><div>Bound states in the continuum (BICs) are exotic, localized states even though their energy lies in the continuum spectra. Since its discovery in 1929, the quest to unveil these exotic states in charge transport experiments remains an active pursuit in condensed matter physics. Here, we study charge transport in InSb nanowire networks in the ballistic regime and subject to a perpendicular magnetic field as ideal candidates to observe and control the appearance of BICs. We find that BICs reveal themselves as distinctive resonances or antiresonances in the conductance by varying the applied magnetic field and the Fermi energy. We systematically consider different lead connections in hashtag-like nanowire networks, finding the optimal configuration that enhances the features associated with the emergence of BICs. Finally, the investigation focuses on the effect of the Rashba spin–orbit interaction of InSb on the occurrence of BICs in nanowire networks. While the interaction generally plays a detrimental role in the signatures of the BICs in the conductance of the nanowire networks, it opens the possibility to operate these nanostructures as spin filters for spintronics. We believe that this work could pave the way for the unambiguous observation of BICs in charge transport experiments and for the development of advanced spintronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"166 ","pages":"Article 116145"},"PeriodicalIF":2.9,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xinxin Wang, Gaojie Li, Xiaofei Wang, Weiwei Ju, Xiaohong Li
{"title":"Enhanced piezoelectricity induced by transition metal atoms adsorption on monolayer and bilayer MoS2","authors":"Xinxin Wang, Gaojie Li, Xiaofei Wang, Weiwei Ju, Xiaohong Li","doi":"10.1016/j.physe.2024.116148","DOIUrl":"10.1016/j.physe.2024.116148","url":null,"abstract":"<div><div>Piezoelectricity in MoS<sub>2</sub> has attracted extensive attention because of potential applications in energy harvesting and sensors. However, the piezoelectricity of MoS<sub>2</sub> monolayer is weaker than those of traditional piezoelectric materials. Here, based on first principles calculations, we report the large work function transition metal atoms (TMs = Ni, Pd, Pt and Ir) adsorbed on monolayer and bilayer MoS<sub>2</sub> with large out-of-plane piezoelectric polarization. For TMs adsorbed on monolayer MoS<sub>2</sub>, the Ir and Ni adsorption exhibit stronger adsorption energy and larger migration barrier compared with Pd and Pt adsorption. All structures maintain dynamical stability at 300 K and exhibit p-type semiconducting band structures. The larger out-of-plane piezoelectric coefficients induced by adsorption increase with increasing the adsorption concentration, accompanied with slightly decreased in-plane piezoelectric coefficients, which is attributed to more and more electrons participating in redistribution along the out-of-plane direction. For TMs adsorbed bilayer MoS<sub>2</sub>, the energetically favorable configuration has same polarization orientation between two monolayers, which results in increased in-plane piezoelectric coefficients. The out-of-plane piezoelectric coefficients further increase due to the coupling of interlayer vertical polarization and TMs adsorption induced vertical polarization. Our results provide a possible way to increase the piezoelectricity of MoS<sub>2</sub>.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"166 ","pages":"Article 116148"},"PeriodicalIF":2.9,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142659499","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}