{"title":"Role of edge reconfiguration in generating corner states in Zigzag graphene nanoribbons","authors":"Wenxuan Jiang , Zheng-Fang Liu , Qing-Ping Wu , Xianbo Xiao","doi":"10.1016/j.physe.2025.116260","DOIUrl":"10.1016/j.physe.2025.116260","url":null,"abstract":"<div><div>The study investigates the significance of edge architecture in graphene nanoribbons and its implications on electronic properties and transport behavior. Particularly, it explores the effects of edge reconstruction on Zigzag graphene nanoribbons, focusing on the impact of (5, 7) edge remodeling caused by Stone–Wales defects on topological features and edge states. The energy band structure and state distribution of the reconfigured Zigzag (5, 7) graphene nanoribbon were examined using the tight-binding model. The findings indicate that the edge reconstruction creates energy gaps in the edge-state bands, resulting in the appearance of corner states at the vertices of rectangular graphene nanoflakes with reconstructed edges. Furthermore, analysis of the boundary atomic structure unveiled an SSH4-like configuration at the edges, forming a topological structure that gives rise to zero-energy corner states and two distinct nonzero-energy corner states. The study also notes a transition of non-zero energy corner states towards zero energy influenced by bulk and edge states, while zero-energy corner states shift towards non-zero energy and some merge with the edge states. Nevertheless, the impact of the staggered potential largely restores the corner states determined by the edge structure. This research underscores the significant implications of Stone–Wales-deficient reconfiguration on the topological properties and edge states of Zigzag graphene nanoribbons, providing a theoretical basis for tailoring electron transport characteristics and guiding the development of advanced optoelectronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116260"},"PeriodicalIF":2.9,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860486","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":"Entanglement negativity in non-Hermitian PT-symmetric models","authors":"L.S. Lima","doi":"10.1016/j.physe.2025.116271","DOIUrl":"10.1016/j.physe.2025.116271","url":null,"abstract":"<div><div>Topological phase transitions are very common in a variety of quantum systems and are a rising topic in actuality. Here we investigate quantum correlation and entanglement in some non-Hermitian <span><math><mi>PT</mi></math></span>-symmetric quantum systems such as Su–Schrieffer–Heeger (SSH) model, which exhibits chiral symmetry and different phases characterized in terms of a topological invariant. The effective Hermitian Hamiltonian has always a higher dimension than the corresponding non-Hermitian model. We verified the effect of periodic hopping modulation on SSH model that exhibits the non-Hermiticity due to presence of an on-site staggered imaginary potential, on measure of quantum entanglement of mixed state given by the entanglement negativity <span><math><msub><mrow><mi>E</mi></mrow><mrow><mi>N</mi></mrow></msub></math></span>. Since its dissipative non-Hermitian extension modifies the features of the topological trivial phase and topological nontrivial phase, the weak potential respecting the parity-time symmetry (<span><math><mrow><mi>P</mi><mi>T</mi></mrow></math></span>) keeps the energy eigenvalues real.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116271"},"PeriodicalIF":2.9,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143854960","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}
Yongliang Yong , Zhiyong Liu , Wentao Guo , Qihua Hou , Zhenlong Lv , Gang Liu , Zhansheng Lu , Xinxin Wang , Xinli Li
{"title":"Structural, vibrational, elastic, and electronic properties of MgO cluster-assembled monolayers","authors":"Yongliang Yong , Zhiyong Liu , Wentao Guo , Qihua Hou , Zhenlong Lv , Gang Liu , Zhansheng Lu , Xinxin Wang , Xinli Li","doi":"10.1016/j.physe.2025.116275","DOIUrl":"10.1016/j.physe.2025.116275","url":null,"abstract":"<div><div>Atomic-thin two-dimensional (2D) cluster-assembled metal oxide monolayers have been pursued as a rapidly emerging class of 2D materials with unprecedented properties and potential for versatile applications. Using stable Mg<sub>6</sub>O<sub>6</sub> clusters as building blocks, here, we established two new MgO monolayers (namely g-MgO and r-MgO) that completely differ from the known phases, and explored their growth pattern based on cluster assemblies, structural, vibrational, elastic, and electronic properties by exploiting density functional theory (DFT) calculations. Phonon dispersion calculations reveal both monolayers are dynamically stable. The g-MgO and r-MgO monolayers retain structural integrity at 1200 and 1000 K, respectively. Both monolayers have completely different Raman spectra with unique characters, enabling them to be easily identified them in experiments. The calculated in-plane stiffness and Poisson ratio of g-MgO are 75.69 N/m and 0.40, while that of r-MgO are 62.34 (33.87) N/m and 0.97 (0.53), respectively, revealing the isotropic and anisotropic mechanical response for g-MgO and r-MgO monolayers. The g-MgO (r-MgO) monolayer has direct (indirect) semiconducting properties with a wide bandgap of 4.53 (4.64) eV from HSE06 functional and possesses outstandingly high carrier mobilities (all >2.40 × 10<sup>3</sup> cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup>), offering promising potential in advanced electronic and photoelectronic applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116275"},"PeriodicalIF":2.9,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844052","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":"Coherent and incoherent phonon transport in graphene/h-BN superlattice: A machine learning potential","authors":"Zihan Tan, Shuo Wang, Yuqi Liu, Yang Xiao, Xiaoye Zhou, Shujun Zhou, Xiaoming Xiu, Haikuan Dong","doi":"10.1016/j.physe.2025.116259","DOIUrl":"10.1016/j.physe.2025.116259","url":null,"abstract":"<div><div>Currently, numerous studies demonstrate two mechanisms of coherent and incoherent phonon transport in superlattices. The graphene/hexagonal boron nitride (h-BN) superlattice has attracted significant attention because of its excellent thermal, electrical, and mechanical properties. In this study, we construct an accurate neuroevolution potential (NEP) model and conduct molecular dynamics (MD) simulations using the GPUMD package to investigate phonon transport behavior in the graphene/h-BN superlattice. We find that with increasing periods, phonons transition from coherent to incoherent transport, with their intersection corresponding to the lowest thermal conductivity. Additionally, we discuss phonon transport under varying temperature conditions. We also explore phonon transport in aperiodic superlattices to further illustrate the impact of structural disorder. This study enhances our understanding of phonon transport in superlattices and has the potential to broaden the application of graphene/h-BN superlattices in thermal management and electronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116259"},"PeriodicalIF":2.9,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850430","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":"Constructing Floquet Hamiltonians with spacetime exchange symmetry","authors":"Wensi Ke, Pei Wang","doi":"10.1016/j.physe.2025.116256","DOIUrl":"10.1016/j.physe.2025.116256","url":null,"abstract":"<div><div>Spacetime exchange symmetry ensures that a quantum lattice system remains invariant under the interchange of spatial and temporal coordinates. In this paper, we develop a general framework for constructing Floquet Hamiltonians in multiband lattice models that respect this symmetry, utilizing unitary group representation theory. As an application, we implement this approach in two-band lattice models and analyze their properties. The exchange symmetry enforces a linear dispersion relation, leading to particle transport at a constant velocity. While these transport properties remain robust against weak noise, they break down under strong noise.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116256"},"PeriodicalIF":2.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143834205","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}
Junjie Wang , Lingling Yang , Bin Cai , Yongzhi Cheng , Xiangcheng Li
{"title":"Ultra-broadband tunable terahertz chiral metasurface integrated vanadium dioxides for tri-functional application","authors":"Junjie Wang , Lingling Yang , Bin Cai , Yongzhi Cheng , Xiangcheng Li","doi":"10.1016/j.physe.2025.116270","DOIUrl":"10.1016/j.physe.2025.116270","url":null,"abstract":"<div><div>In this paper, an ultra-broadband tunable chiral metasurface (CMS) integrated vanadium dioxides (VO<sub>2</sub>) films is proposed for tri-functional application in terahertz (THz) region. The proposed composite CMS is composed of two twisted sub-wavelength metal gratings adhered on continuous VO<sub>2</sub> films in front and back layers, metal deformed-split-ring resonator (DSRR) structure in a middle layer, which are separated by two dielectric layers. When VO<sub>2</sub> is in insulating state, the designed composite CMS can achieve an ultra-broadband linear polarization conversion (LPC) and asymmetric transmission (AT) effect, exhibiting that the transmission coefficient of cross-polarization and AT coefficient exceed 90 % from 0.25 THz to 1.30 THz, with a relative bandwidth of 135 %. This ultra-broadband LPC and AT effect is primarily due to interlayer interference and cross-coupling effects of EM fields arising from the anisotropic and chiral characteristics of the CMS structure. However, when VO<sub>2</sub> is in metallic state, the composite CMS can significantly reflect the incident THz waves, which promises to be used as a metal mirror reflector for electromagnetic (EM) shielding application. Furthermore, the ultra-broadband LPC efficiency and AT effect of the designed composite CMS can be dynamically modified by altering the conductivity of VO<sub>2</sub>, which is inherently temperature-dependent and passively modulates with environmental temperature shifts. Leveraging the phase transition property of VO<sub>2</sub>, the maximum modulation depth can reach an impressive 99.7 %. While the relative bandwidth for a modulation depth of 90 % extends up to 176 %. The proposed VO<sub>2</sub> integrated CMS design serves as an important reference for practical applications of THz technology.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116270"},"PeriodicalIF":2.9,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825932","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":"Acoustoelectric effect in suspended and substrated silicene","authors":"Subhana Nafees , Meenhaz Ansari","doi":"10.1016/j.physe.2025.116269","DOIUrl":"10.1016/j.physe.2025.116269","url":null,"abstract":"<div><div>In this article, we investigate the amplification coefficient and the acoustoelectric effect in suspended and substrated silicene. We explore the governing kinetic equations in the Boltzmann transport formalism, reflecting both numerical and analytical approaches, considering into account the deformation potential and piezoelectric electron-phonon coupling mechanisms. This study highlights that silicene is an efficient material for transforming surface acoustic waves into the acoustoelectric current, indicating strong potential for future theoretical and experimental research with a wide array of promising applications. The present study further investigates the acoustoelectric effect, which is influenced by factors such as frequency, temperature, carrier concentration, and phonon velocity. Furthermore, on comparing with graphene, the current observed for silicene is higher, suggesting silicene is a superior material for technological applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116269"},"PeriodicalIF":2.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829829","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":"The generalized Su–Schrieffer–Heeger double chains with the chiral and spatial inversion symmetries","authors":"Tao Du, Yuexun Li, Helin Lu, Hui Zhang","doi":"10.1016/j.physe.2025.116255","DOIUrl":"10.1016/j.physe.2025.116255","url":null,"abstract":"<div><div>The central object of this article is the generalized Su–Schrieffer–Heeger double chains with long-range couplings between chains and electron hoppings along the chain. The chiral symmetry and spatial inversion symmetry are applied to give the topologically non-trivial band structure and simplify the model respectively. The topological invariant and energy band of this model are given subsequently. Combining the energy band and topological invariant, we investigate the effects of long-range couplings and hoppings in detail and give the complete phase diagrams for these couplings and hoppings. A result that seemingly violates the bulk-edge correspondence is reported in this article.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116255"},"PeriodicalIF":2.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143817686","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}
Xiaowei Wang , Zhihui Chen , Zhiyuan Wang , Guang Feng , Yang Wang , Shan Li , Yibiao Yang , Yuying Hao
{"title":"Tunable mid-infrared sensing based on graphene-metal hybrid structure","authors":"Xiaowei Wang , Zhihui Chen , Zhiyuan Wang , Guang Feng , Yang Wang , Shan Li , Yibiao Yang , Yuying Hao","doi":"10.1016/j.physe.2025.116268","DOIUrl":"10.1016/j.physe.2025.116268","url":null,"abstract":"<div><div>Improving the emission efficiency of molecules or quantum dots is one of the effective means to improve the sensitivity of sensing. Here we provide a graphene-metal hybrid structure to achieve sensitivity detection in mid-infrared. The graphene-metal hybrid structure well coupling with a dipole source in mid-infrared was constructed. And then the high quality resonance peak can be detected. For different molecular detection applications, the resonance window can be controlled by geometrical parameters of metal structure in the mid-infrared range. Meanwhile the resonance wavelengths can be adjusted with graphene's chemical potential and the chemical potential of graphene can be controlled through a varying gate voltage, and the emission enhancement ratio was 105 times on average. The hybrid structures also show excellent results in different background refractive indices. The sensitivity of the hybrid structure as a refractive index sensor reaches 5367 nm/RIU. All of our analyses show that the hybrid structure can be used as a better mid-infrared sensor.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116268"},"PeriodicalIF":2.9,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143820685","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":"Theoretical predicted topological properties of Janus SrInGaTe4","authors":"Yiwen Gao , Xiaojing Gao , Xiaobin Niu , Jianwei Wang","doi":"10.1016/j.physe.2025.116257","DOIUrl":"10.1016/j.physe.2025.116257","url":null,"abstract":"<div><div>Two-dimensional (2D) Janus structures have emerged as promising materials due to their novel physical properties and wide-ranging potential applications. The symmetry breaking inherent in Janus structures raises an intriguing question: do their topological properties persist despite this asymmetry? Both theoretically predicted Janus SrInGaTe<sub>4</sub> and its parent compound SrGa<sub>2</sub>Te<sub>4</sub> retain their topological characteristics when spin-orbit coupling (SOC) is considered. Furthermore, Rashba-type spin splitting is observed at both the conduction band minimum (CBM) and the valence band maximum (VBM), attributed to the inversion asymmetry. The electronic properties of SrInGaTe<sub>4</sub> can be modulated using biaxial strain and external electric fields. Under a tensile strain of 6 %, the inverted band gap of SrInGaTe<sub>4</sub> increases significantly from 40 meV (at zero strain) to 124 meV. Similarly, an applied vertical electric field of 0.2V/Å enlarges the inverted band gap to 84 meV. Topological invariants (<em>Z</em><sub>2</sub>) calculations reveal that SrInGaTe<sub>4</sub> transitions to a normal insulator under a compressive strain of −2 %. Additionally, an applied electric field induces a topological phase transition from non-trivial to trivial, with a critical field of approximately −0.2V/Å. This study demonstrates that both strain and electric fields can effectively tune the topological properties of select 2D materials. These findings provide valuable insights for the design and development of advanced spintronic devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"172 ","pages":"Article 116257"},"PeriodicalIF":2.9,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143807853","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}