{"title":"Nernst effect of the dice lattice in a strong magnetic field","authors":"Han-Lin Liu, J. Wang","doi":"10.1016/j.physe.2024.116096","DOIUrl":"10.1016/j.physe.2024.116096","url":null,"abstract":"<div><p>The dice lattice bears a similar honeycomb lattice structure to graphene but with a non-dispersive flat band intersecting the Dirac bands at the band center. In this work, we investigate Nernst effect of the dice lattice in a strong magnetic field, focusing on the role of the flat band. By using the Chebyshev polynomial Green’s function method, we show that no Nernst effect (<span><math><mrow><msub><mrow><mi>S</mi></mrow><mrow><mi>x</mi><mi>y</mi></mrow></msub><mo>=</mo><mn>0</mn></mrow></math></span>) is around the Dirac point in the clean limit contrary to the graphene case because of the existence of a zero Hall conductivity platform. However, an unconventional negative <span><math><msub><mrow><mi>S</mi></mrow><mrow><mi>x</mi><mi>y</mi></mrow></msub></math></span> of the double-peak structure emerges instead when the flat band is broadened by disorder and temperature. In addition, when a mass term of Dirac electrons is introduced in the system to open an energy gap, a negative single peak of <span><math><msub><mrow><mi>S</mi></mrow><mrow><mi>x</mi><mi>y</mi></mrow></msub></math></span> appears at the Dirac point and this is due to the derivative quantum Hall effect of non-Dirac electrons in the flat band appearing in the energy gap.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116096"},"PeriodicalIF":2.9,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142149144","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":"Study on the interface electronic structure, strain modulation and transport properties of composite heterojunction of 2D semimetal TiS2 and MX2 (M=Mo, W, Cr, Zr, Hf; X=S, Se, Te) semiconductor","authors":"Quan Ru Liu , Ming Zhuo Zhao , Ying Xu","doi":"10.1016/j.physe.2024.116092","DOIUrl":"10.1016/j.physe.2024.116092","url":null,"abstract":"<div><p>Ohmic contacts play a crucial role in realizing high-performance electronic devices based on two-dimensional materials. The contact between semimetals and semiconductors can mitigate the formation of metal-induced gap states (MIGS), thereby reducing the SBH, enhancing the efficiency of high charge injection, and facilitating the establishment of ohmic contacts. This study involves a systematic exploration of the contact characteristics between the two-dimensional semimetal TiS<sub>2</sub> and semiconductor MX<sub>2</sub> (M = Mo, W, Cr, Zr, Hf; X = S, Se, Te) through first-principles calculations. It is found that the TiS<sub>2</sub>/MoSe<sub>2</sub> and TiS<sub>2</sub>/WSe<sub>2</sub> heterojunction achieve ohmic contact. Investigations into their transport properties reveal that significant currents can be observed at relatively low voltages, indicating excellent transport performance of these heterojunctions. The TiS<sub>2</sub>/CrSe<sub>2</sub> and TiS<sub>2</sub>/HfSe<sub>2</sub> contact heterojunctions also show low Schottky barrier height (SBH), with the barrier height being adjustable under strain. The SBH of TiS<sub>2</sub>/CrSe<sub>2</sub> and TiS<sub>2</sub>/HfSe<sub>2</sub> heterojunctions are very close to zero under stresses of 4 % and −4%, respectively. This also implies that our research can offer valuable guidance for the development of adjustable Schottky nano-devices and high-performance optoelectronic devices.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116092"},"PeriodicalIF":2.9,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142121759","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}
Shah Ihsan , Syed Zulfiqar , Shaukat Ali Khattak , Hasan B. Albargi , Arshad Khan , Gul Rooh , Tahirzeb Khan , Gulzar Khan , Irfan Ullah
{"title":"The effect of solvent on the structural, morphological, optical and dielectric properties of SnO2 nanostructures","authors":"Shah Ihsan , Syed Zulfiqar , Shaukat Ali Khattak , Hasan B. Albargi , Arshad Khan , Gul Rooh , Tahirzeb Khan , Gulzar Khan , Irfan Ullah","doi":"10.1016/j.physe.2024.116095","DOIUrl":"10.1016/j.physe.2024.116095","url":null,"abstract":"<div><p>We investigate the effect of solvent, i.e., ethanol and deionized (DI) water, on the structural, optical, and dielectric characteristics of SnO<sub>2</sub> nanostructures, synthesized via the hydrothermal method. Utilizing X-ray diffraction (XRD), we find the rutile phase for both nanostructures with average crystallite sizes of 12.53 nm and 6.62 nm for the samples synthesized using ethanol and DI water as solvents, respectively. The energy-dispersive X-ray spectroscopy (EDX) confirms the presence of Sn and O elements in both samples. Scanning electron microscopy (SEM) reveals that the samples prepared using ethanol and DI water exhibit nanorods and nanoflowers structures, respectively. The calculated band gap for SnO<sub>2</sub> based on ethanol and DI water solvents is found to be 3.54 eV and 3.45 eV, respectively. The SnO<sub>2</sub> nanostructure prepared by ethanol solvent demonstrates a higher dielectric constant which is attributed to higher defect density and more grain boundaries in it than in the sample synthesized using DI water. At low frequencies, the high tan<strong><em>δ</em></strong> values in the case of both nanostructures are explained based on space-charge polarization (SPC). The SnO<sub>2</sub> prepared by DI water exhibits higher tangent loss than the one synthesized using ethanol because of its significant surface area. The significant amount of conducting grains in the SnO<sub>2</sub> nanostructure while using ethanol solvent makes it a better conductive. Furthermore, the dielectric constant increases with increasing temperature which suggests considerable changes in the polarization behavior, while the tangent loss and conductivity demonstrate dependency on the temperature, indicating the promise of the nanostructures for electrical applications.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116095"},"PeriodicalIF":2.9,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142128933","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}
Xingzhong Luo , Qingyi Feng , Bo Li , Biyi Wang , Chuanpeng Ge , Chi He , Hongxiang Deng
{"title":"Innovative Type-II ZnSe/InSSe heterojunction: Photocatalytic properties and strain modulation from first-principles calculations","authors":"Xingzhong Luo , Qingyi Feng , Bo Li , Biyi Wang , Chuanpeng Ge , Chi He , Hongxiang Deng","doi":"10.1016/j.physe.2024.116089","DOIUrl":"10.1016/j.physe.2024.116089","url":null,"abstract":"<div><p>In this study, we propose an innovative type-II ZnSe/InSSe heterojunction for efficient photocatalytic water-splitting. This heterojunction exhibits a direct band gap of 1.9 eV and staggered band alignment, which efficiently separates photogenerated carriers, facilitating overall water-splitting. The built-in electric field drives electrons to accumulate in the InSSe layer and holes accumulate in the ZnSe layer, thereby suppressing recombination and enhancing photocatalytic efficiency. The solar-to-hydrogen efficiency reaches 8.92 %. Furthermore, the electronic and optical properties of ZnSe/InSSe heterojunction can be modified by biaxial strain, with tensile strain significantly improving visible light absorption and overall efficiency. Under tensile strain, the band gap decreases, enhancing the light absorption capability in the visible range, which further boosts the photocatalytic performance. Our findings demonstrate the ZnSe/InSSe heterojunction as a promising candidate for high-efficiency photocatalytic hydrogen production, offering valuable insights for future photocatalyst development. This research provides a potential pathway to optimize semiconductor heterojunctions for sustainable energy applications through strain engineering.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116089"},"PeriodicalIF":2.9,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142128934","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}
Man Liu , Ying Liu , Lei Jin , Cong Liu , Xuefang Dai , Ting-Ting Zhang , Xiaoming Zhang , Guodong Liu
{"title":"Two-dimensional Cu2N–A high-performance anode material for ion batteries with excellent electrical conductivity and electrolyte wettability","authors":"Man Liu , Ying Liu , Lei Jin , Cong Liu , Xuefang Dai , Ting-Ting Zhang , Xiaoming Zhang , Guodong Liu","doi":"10.1016/j.physe.2024.116091","DOIUrl":"10.1016/j.physe.2024.116091","url":null,"abstract":"<div><p>Determining suitable anode materials is crucial in the advancement of lithium-ion and sodium-ion battery technologies. We propose that the two-dimensional (2D) material Cu<sub>2</sub>N holds promise as a viable anode candidate. The Cu<sub>2</sub>N monolayer exhibits a stable checkerboard lattice crystal structure, ensuring structural integrity. Its excellent metallic electronic structure facilitates efficient conductivity during battery operation. We have observed that Li/Na ions can chemically bond to Cu<sub>2</sub>N substrates via specific charge exchange mechanisms. Moreover, the Cu<sub>2</sub>N monolayer demonstrates favorable wettability and compatibility with common electrolytes used in lithium-ion and sodium-ion batteries, including solvent molecules and metal salts. Our findings indicate that the Li/Na storage capacity of the Cu<sub>2</sub>N monolayer reaches approximately 760/760 mAh/g, surpassing that of graphite anodes significantly. Notably, the Li/Na diffusion barrier on the Cu<sub>2</sub>N monolayer is merely 5/13 meV, lower than that of most other 2D anode materials. Our results underscore the potential of the Cu<sub>2</sub>N monolayer as an outstanding electrode material, offering high storage capacity, rapid charge/discharge rates, and favorable wettability with electrolytes.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116091"},"PeriodicalIF":2.9,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142096735","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}
Lingxue Zhang , Jiaxin Zhang , Yuxuan Sun , Wei Li , Ruge Quhe
{"title":"Quantum transport simulations of α-In2Se3 antiferroelectric tunnel junctions","authors":"Lingxue Zhang , Jiaxin Zhang , Yuxuan Sun , Wei Li , Ruge Quhe","doi":"10.1016/j.physe.2024.116093","DOIUrl":"10.1016/j.physe.2024.116093","url":null,"abstract":"<div><p>Due to semiconductor characteristics and non-volatile ferroelectricity, two-dimensional (2D) In<sub>2</sub>Se<sub>3</sub> are considered as potential candidates for next-generation storage and computing devices. Based on first principles calculations, we designed antiferroelectric tunnel junctions (AFTJs) using α-In<sub>2</sub>Se<sub>3</sub> as channels. The tunneling barrier height is controlled by the antiferroelectric to ferroelectric (AFE-FE) phase transition of the channel. A maximum current ratio up to 426 is predicted between the AFE and FE phases, enabling the two distinct memory states. By constructing two AFTJs into a calculation unit, the total current can either be fully turned on/off or function as XNOR logic with bias as inputs. Our research provides a new approach to implementing integrated storage and computing devices, making it possible for efficient data-centric applications in the era of big data.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116093"},"PeriodicalIF":2.9,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142161791","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":"Multiferroicity in a two-dimensional vanadium dioxide","authors":"Gang Xiao, Wen-Zhi Xiao","doi":"10.1016/j.physe.2024.116090","DOIUrl":"10.1016/j.physe.2024.116090","url":null,"abstract":"<div><p>Two-dimensional (2D) multiferroic materials have attracted great interest owing to the integration of ferroelastic and ferromagnetic properties. We identify a novel 2D multiferroic vanadium dioxide (VO₂) monolayer exhibiting a monoclinic phase with a <em>C</em>2/<em>m</em> space group using density functional theory (DFT) calculations. The energetic, dynamic, thermodynamic and mechanical analyses indicate that the monolayer exhibits excellent stability and can be prepared experimentally. The arrangement of the electronic energy bands is analogous to that of a type I heterostructure. The electron doping at a concentration of 0.2 electrons per V atom results in a significant increase in the Curie temperature (T<sub>C</sub>) from 11.2 to 184 K estimated by Monte Carlo simulations, and a transition from semiconductor to half-metallicity. In addition, the VO₂ monolayer exhibits 120° ferroelastic switching with a moderate switching energy barrier of 32 meV per atom, subsequently allowing 120° rotation of the easy magnetisation axis. Our work reveals the intrinsic multiferroicity of VO₂, which may provide a guidance on the design of next-generation mechanical/spintronic devices.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116090"},"PeriodicalIF":2.9,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142088283","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":"Porous Metal Organic Framework (MOF) derived dimorphic (n-ZnO/p-NiO) Z-scheme heterojunction anchored with MWCNTs (ternary nano-architecture): A novel approach for optimization of photodegradation mechanism and kinetics of Congo red (CR) dye","authors":"P. Abisha, Jinitha C.G, S. Sonia","doi":"10.1016/j.physe.2024.116076","DOIUrl":"10.1016/j.physe.2024.116076","url":null,"abstract":"<div><p>Global efforts to combat water pollution, especially from organic dyes like Congo red, emphasize the use of advanced nanomaterials for sewage purification. Metal-Organic Frameworks (MOFs), known for their crystalline structures and versatile properties, have become pivotal in wastewater treatment research. Integrating MWCNTs into MOF derived composite nanostructures is a strategic advancement, boosting the efficiency of photocatalytic systems and addressing environmental concerns. This study details the synthesis of a novel Z-scheme heterojunction nanocomposite (n-ZnO/p-NiO) incorporating multi-walled carbon nanotubes (MWCNTs), achieved via a solvothermal method using metal-organic framework (MOF) as a template. The study uses XRD, FTIR, FESEM, BET, UV, and PL for comprehensive nanocomposite characterization, offering insights into its structural, morphological, and optical properties. The resultant nanocomposite displays high surface area, sturdy pore arrangement, and consistent morphology. MWCNTs influence crystal growth and optical absorption, enhancing surface hydroxyl group concentration and acting as electron acceptors. This results in decreased photo oxidation and improved overall stability under light exposure in the composite. The composite achieves 92 % Congo red degradation in 60 min under UV light, showcasing superior dye adsorption capacity. This underscores its potential as an efficient photocatalyst for environmental remediation and wastewater treatment.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116076"},"PeriodicalIF":2.9,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142149143","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}
Lingxiu Chen, Dehe Wang, Qingxu Sun, Junyuan Wu, Hongyu Sun, Yang Zhang, Liwei Shi
{"title":"Effect of hydrogen on graphene growth on SiC(0001) under atmospheric pressure","authors":"Lingxiu Chen, Dehe Wang, Qingxu Sun, Junyuan Wu, Hongyu Sun, Yang Zhang, Liwei Shi","doi":"10.1016/j.physe.2024.116088","DOIUrl":"10.1016/j.physe.2024.116088","url":null,"abstract":"<div><p>Epitaxial growth of graphene on silicon carbide (SiC) facilitates the direct application of graphene in the semiconductor field. During the graphene preparation process, hydrogen plays a crucial role in determining its morphology. Therefore, studying the influence of hydrogen on the graphene morphology on the SiC surface is of great significance. In this study, we present a direct epitaxial growth of graphene on the SiC(0001) surface under atmospheric pressure. Our focus extends beyond the growth process itself to investigate the important role of hydrogen in shaping the quality and morphology of both the substrate and the graphene. By showing the influence of hydrogen at various stages, our research aims to contribute insights that advance the seamless integration of graphene into the semiconductor field.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116088"},"PeriodicalIF":2.9,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142039806","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}
Mouhamadou Hassane Saley , Abderrahim El Mouhafid , Ahmed Jellal
{"title":"Effect of a perpendicular magnetic field on bilayer graphene under dual gating","authors":"Mouhamadou Hassane Saley , Abderrahim El Mouhafid , Ahmed Jellal","doi":"10.1016/j.physe.2024.116077","DOIUrl":"10.1016/j.physe.2024.116077","url":null,"abstract":"<div><p>By studying the impact of a perpendicular magnetic field <span><math><mi>B</mi></math></span> on AB-bilayer graphene (AB-BLG) under dual gating, we yield several key findings for the ballistic transport of gate <span><math><msub><mrow><mi>U</mi></mrow><mrow><mi>∞</mi></mrow></msub></math></span>. Firstly, we discover that the presence of <span><math><mi>B</mi></math></span> leads to a decrease in transmission. At a high value of <span><math><mi>B</mi></math></span>, we notice the occurrence of anti-Klein tunneling over a significant area. Secondly, in contrast to the results reported in the literature, where high peaks were found with an increasing in-plane pseudomagnetic field applied to AB-BLG, we find a decrease in conductivity as <span><math><mi>B</mi></math></span> increases. However, it is worth noting that in both cases, the number of oscillations decreases compared to the result in the study where no magnetic field was present <span><math><mrow><mo>(</mo><mi>B</mi><mo>=</mo><mn>0</mn><mo>)</mo></mrow></math></span>. Thirdly, at the neutrality point, we demonstrate that the conductivity decreases and eventually reaches zero for a high value of <span><math><mi>B</mi></math></span>, which contrasts with the result that the conductivity remains unchanged regardless of the value taken by the in-plane field. Finally, we consider the diffusive transport with gate <span><math><mrow><msub><mrow><mi>U</mi></mrow><mrow><mi>∞</mi></mrow></msub><mo>=</mo><mn>0</mn><mo>.</mo><mn>2</mn><msub><mrow><mi>γ</mi></mrow><mrow><mn>1</mn></mrow></msub></mrow></math></span> and observe two scenarios. The amplitude of conductivity oscillations increases with <span><math><mi>B</mi></math></span> for energy <span><math><mi>E</mi></math></span> less than <span><math><msub><mrow><mi>U</mi></mrow><mrow><mi>∞</mi></mrow></msub></math></span> but decreases in the opposite case <span><math><mrow><mi>E</mi><mo>></mo><msub><mrow><mi>U</mi></mrow><mrow><mi>∞</mi></mrow></msub></mrow></math></span>.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116077"},"PeriodicalIF":2.9,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142044774","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}