Physica B-condensed Matter最新文献

{"title":"High-performance photodetectors based on ZnIn₂S₄ and ZnIn₂S₄/Bi heterojunctions","authors":"Qijie Niu ,&nbsp;Kailong Han ,&nbsp;Bing Wang ,&nbsp;Zhongjun Li","doi":"10.1016/j.physb.2025.416934","DOIUrl":"10.1016/j.physb.2025.416934","url":null,"abstract":"<div><div>Two-dimensional (2D) materials are renowned for their exceptional optical and electrical properties, making them highly promising for various photodetector applications, including photochemical (PEC) photodetectors. Among these materials, ZnIn₂S₄ stands out as a typical vision-responsive N-type 2D tera-chalcogenide compound. Due to its unique physical properties, such as high carrier mobility, excellent photochemical conversion efficiency, robust photochemical stability, and low toxicity, ZnIn₂S₄ has garnered significant research interest. However, most studies on ZnIn₂S₄ have focused on thin-film solar cells and photocatalysis, with its potential as a photodetector remaining largely unexplored. In this study, we developed a PEC photodetector based on ZnIn₂S₄ thin films, fabricated using a pulsed laser deposition method under ultra-high vacuum conditions. This method resulted in films with minimal impurities and high material uniformity. The resulting photodetector exhibited excellent photoresponse, tunable characteristics, and impressive cycle and time stability. Despite these advantages, ZnIn₂S₄ has inherent limitations, such as restricted light absorption capacity and rapid carrier recombination rates. To address these challenges, we fabricated a photodetector featuring a vertical heterojunction of ZnIn₂S₄ and Bi. The built-in electric field at the heterojunction interface effectively promotes the separation of photogenerated carriers, thereby enhancing the photoresponse characteristics of the photodetector. Compared with other photochemical photodetectors such as SnSe2/ZnS, InSe etc, this device exhibits a significantly higher photocurrent density of 42.08 μA/cm², which is 33.1 and 111.3 times greater than that of SnSe₂/ZnS and InSe, respectively. Additionally, it demonstrates a high responsivity of 139.16 μA/W, which is 8.85 and 28.4 times higher than that of SnSe₂/ZnS and InSe. The performance of the device meets the standard of high performance photochemical photodetector and has great potential in future photoelectric applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416934"},"PeriodicalIF":2.8,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143222983","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":"Hydrogenation regimes effects on the thermal properties of planar net-τ via molecular dynamics simulation","authors":"Qian Min ,&nbsp;Jie Zhang","doi":"10.1016/j.physb.2025.416933","DOIUrl":"10.1016/j.physb.2025.416933","url":null,"abstract":"<div><div>This study explores the thermal properties of planar net-τ under various hydrogenation regimes using molecular dynamics (MD) simulations. Three critical parameters are examined: side length, hydrogenation pattern, and hydrogen area percentage. Hydrogenation patterns, including random, triangular, square, circular, and rhombic configurations, are analyzed. Results indicate that increasing the side length significantly enhances thermal conductivity in both pure and fully hydrogenated structures, with the pure form showing greater sensitivity. Among the hydrogenation patterns, the random configuration exhibits the lowest thermal conductivity, while the triangular pattern demonstrates the highest. Furthermore, increasing the hydrogen area percentage leads to a reduction in thermal conductivity across all patterns, with the random pattern displaying the most pronounced decrease.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416933"},"PeriodicalIF":2.8,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223781","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":"Comprehensive analysis of the effect of Na doping concentration on the essential physical properties of K2PdO2: A first principle study","authors":"Muhammad Jawad ,&nbsp;Amin Ur Rahman ,&nbsp;Shafaat Hussain Mirza ,&nbsp;Sikander Azam ,&nbsp;Noor ul Amin ,&nbsp;Abdul Shakoor","doi":"10.1016/j.physb.2025.416925","DOIUrl":"10.1016/j.physb.2025.416925","url":null,"abstract":"<div><div>This study investigates the effects of sodium (Na) doping on K₂PdO₂, a semiconductor with a wide band gap and low absorption of visible electromagnetic radiation, using Wien2k based on Density Functional Theory (DFT). The results reveal that Na doping is an effective approach to enhancing the optical absorption properties of these materials. Both the pure and doped compounds exhibit negative formation energies, confirming their thermodynamic and structural stability. Density of States and electronic band structure analyses show that all compounds remain semiconducting, with the band gap decreasing from 2.29eV to 1.65eV upon doping. Increased charge due to doping induces polarization and reduces light velocity, as reflected by the rise in the refractive index with higher Na content. Additionally, optical conductivity improves, indicating enhanced sensitivity to visible light. These findings, along with the favorable thermoelectric response, position K₂PdO₂ as a promising candidate for various thermoelectric device applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416925"},"PeriodicalIF":2.8,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223494","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":"Effect of 3 MeV proton ion irradiation on optical properties of Se70Te20Sn10 thin films for photonic applications","authors":"Thabang K. Matabana ,&nbsp;Cosmas M. Muiva ,&nbsp;Lawrence K. Benjamin ,&nbsp;Morgan Madhuku ,&nbsp;Thobega Mosimanegape ,&nbsp;Conrad B. Tabi","doi":"10.1016/j.physb.2025.416930","DOIUrl":"10.1016/j.physb.2025.416930","url":null,"abstract":"<div><div>The influence of proton irradiation on the optical, dielectric, and structural characteristics of Se₇₀Te₂₀Sn₁₀ thin films was systematically examined. These films were fabricated using electron-beam evaporation and subsequently 3 MeV proton irradiation at fluence levels ranging from 5 × 10¹³ to 5 × 10¹⁶ ions/cm². X-ray diffraction analysis confirmed the amorphous nature of the films, while UV–Vis–NIR spectroscopy demonstrated a modifiable optical band gap that decreased from 1.84 eV to 1.61 eV with increasing fluence, followed by partial recovery at higher doses. The dielectric constant showed significant enhancement, peaking at 5 × 10¹³ ions/cm², and recovering at 5 × 10¹⁶ ions/cm², suggesting structural reorganization within the material. Surface morphology investigations using AFM revealed increased roughness parameters, such as SA and SQ, with fluence, which were closely linked to trends observed in the optical and dielectric properties. These findings underscore the suitability of Se₇₀Te₂₀Sn₁₀ thin films for radiation-resistant photonic and optoelectronic technologies, with the fluence-dependent recovery offering valuable insights into defect dynamics and the material's robustness under irradiation.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416930"},"PeriodicalIF":2.8,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223491","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":"Electric field concentration on amorphous CNTs by silver nanoparticle functionalization to enhance the cold emission characteristics: An experimental verification of theoretical assumption","authors":"M. Parashar ,&nbsp;D. Banerjee ,&nbsp;K. Mitra ,&nbsp;S. Bhowmick ,&nbsp;N.S. Das ,&nbsp;N. Chakraborty ,&nbsp;K.K. Chattopadhyay","doi":"10.1016/j.physb.2025.416920","DOIUrl":"10.1016/j.physb.2025.416920","url":null,"abstract":"<div><div>The current work reports both simulations-based prediction and its experimental verification of the fact that carbon nanotubes (CNT) can show much enhanced cold field emission property when its walls are decorated by silver nano/micro particles. Propelled by the results obtained from finite element analysis using ANSYS-Maxwell software simulation, CNT was synthesized by simple solid state reaction at a low temperature and thus in amorphous form and functionalized with silver particle with varying concentration.</div><div>The pure and functionalized samples were characterized by X-ray diffraction, Field emission scanning and transmission electron microscope, Fourier transformed infrared, Raman and X-ray photo electron spectroscopy and thermogravimetric analysis.</div><div>When field emission characteristics of the pure and functionalized samples were taken it was seen that the functionalized sample shows a monotonic enhancement of the field emission characteristics with turn on field reduced from 7.57 to 1.59 V/μm and value of the enhancement factor as high as 13510.</div><div>The reason for such substantial enhancement is assumed to be due to the concentration of field lines, increased numbers of emission sites, favourable band bending as well as lowering of work functions of hybrid material.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416920"},"PeriodicalIF":2.8,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223500","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":"Magnetic-field-induced resistance upturn in Al2O3/SrTiO3 heterostructures","authors":"D.B. Zhou ,&nbsp;K.H. Gao ,&nbsp;Z. Qin ,&nbsp;T. Lin","doi":"10.1016/j.physb.2025.416924","DOIUrl":"10.1016/j.physb.2025.416924","url":null,"abstract":"<div><div>Some topological semimetals with extremely large magnetoresistance usually exhibits an interesting physical phenomenon: resistance shows an upturn as temperature decreases when the external magnetic field is over certain value. Here, we study the magnetotransport properties of wide-bandgap oxide-based Al₂O₃/SrTiO₃ heterostructures prepared by magnetron sputtering. Two samples are of high quality, with large residual resistivity ratio (larger than 1500). A well-defined magnetic-field-induced resistance upturn is clearly observed at low temperature for each sample, indicating that it is not a unique property of topological semimetals. The observed phenomenon cannot be attributed to the electron-hole compensation although the multiple carriers transport occurs in our samples. The metal-insulator transition cannot be used to explain our observation, either. We attribute it to the weak antilocalization effect while the field-induced resistance upturn is further enhanced by the presence of large linear magnetoresistance.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416924"},"PeriodicalIF":2.8,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223785","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":"Preparation and properties analysis of Ni-W/Si3N4 composite coating on 7075 aluminum alloy","authors":"Cong Tan,&nbsp;Yao Huang,&nbsp;Lan Zhang,&nbsp;Jidong Zhang,&nbsp;Na Li","doi":"10.1016/j.physb.2025.416929","DOIUrl":"10.1016/j.physb.2025.416929","url":null,"abstract":"<div><div>To enhance the performance of 7075 aluminum alloy in aerospace and marine applications, Ni-W/Si₃N₄ composite coatings are developed via vertical electrodeposition. The effects of Si₃N₄ concentrations on the microstructure, mechanical properties, and corrosion resistance of coatings are investigated. The optimal concentration of 10 g/L Si₃N₄ significantly enhanced performance, increasing microhardness by 55 %, reducing the friction coefficient and wear rate by 46.9 % and 31.9 %, respectively, and improving corrosion resistance by 98.9 %. Microstructural analysis revealed that Si₃N₄ altered the phase structure of the Ni-W alloy and refined the grain size. The incorporation of Si₃N₄ reduced surface roughness by 38.9 % and filled voids, thereby enhancing the shielding effect of the coating. XPS results indicated Si₃N₄ influenced the content of metallic W in coatings, with superior coating performance observed when the metallic W content was at its highest. These findings highlight the potential of Ni-W/Si₃N₄ coatings for enhancing durability and performance.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416929"},"PeriodicalIF":2.8,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223503","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":"Investigating the influence of exchange correlation functionals on the electronic structure and magnetic properties of L10-MnAl compound: A comparative study of LDA and GGA functionals","authors":"Khoveto Vero,&nbsp;J.P. Borah","doi":"10.1016/j.physb.2025.416926","DOIUrl":"10.1016/j.physb.2025.416926","url":null,"abstract":"<div><div>The L1₀-MnAl compound exhibits excellent magnetic properties, offering potential as a bridge between hard ferrites and rare-earth--based permanent magnets. A deep understanding of its electronic structure and magnetic properties is essential, and density functional theory (DFT) is a key tool for predicting material behavior at the atomic level. In DFT, the choice of exchange-correlation functional significantly influences the accuracy of calculated properties, as it governs electron interactions. This study investigates the structural and magnetic properties of L1₀-MnAl using two exchange-correlation functionals: the Local Density Approximation (LDA) and the Generalized Gradient Approximation (GGA). Results show that GGA provides greater accuracy in describing the electronic structure and magnetic behavior of L1₀-MnAl compared to LDA.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416926"},"PeriodicalIF":2.8,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223779","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":"Two-dimensional C-B-O semiconductors: Promising optoelectronic materials","authors":"Liping Qiao ,&nbsp;Haoran Zhang ,&nbsp;Jianlong Chen ,&nbsp;Feng Xiao ,&nbsp;Huilin Duan ,&nbsp;Qingyang Fan","doi":"10.1016/j.physb.2025.416921","DOIUrl":"10.1016/j.physb.2025.416921","url":null,"abstract":"<div><div>As a typical representative of two-dimensional (2D) materials, graphene has excellent physical and chemical properties and has been widely used. However, the gapless characteristics of graphene hinder its further development in the field of optoelectronics. Current studies have found that the modification of graphene can be achieved by adding B atoms and O atoms to replace carbon in the lattice. To explore more possibilities of C-B-O structure, two new 2D C-B-O structures (C₈B₄O₆ and C₂₄B₄O₆) are constructed by periodically removing carbon from monolayer graphene to form porous graphene, and then adding B atoms and O atoms. The stability of the new C-B-O structures is comprehensively verified from mechanics, thermodynamics and thermodynamics. The thermodynamic properties of phonon density of states and free energy, entropy, heat capacity and enthalpy are also investigated and analyzed in detail. C₈B₄O₆ and C₂₄B₄O₆ both exhibit semiconductor properties, with an ultra-narrow direct band gap of 0.191 eV and an indirect band gap of 1.113 eV, respectively. The optical absorption spectrum shows that C₈B₄O₆ has a high absorption coefficient in the visible light range, which may be suitable for energy conversion devices such as solar cells, while C₂₄B₄O₆ has excellent absorption in the infrared and ultraviolet regions, and has development potential in infrared and ultraviolet detectors.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416921"},"PeriodicalIF":2.8,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223786","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":"Group I elements-adsorbed NiZnO monolayer: Electro-optical properties and potential applications","authors":"Hoang Van Ngoc,&nbsp;Huynh Thi Phuong Thuy","doi":"10.1016/j.physb.2025.416922","DOIUrl":"10.1016/j.physb.2025.416922","url":null,"abstract":"<div><div>In this study, the structural, magnetic, and optical properties of NiZnO monolayers, both pristine and adsorbed with alkali metals (Li, Na, K, and Rb), are systematically analyzed using density functional theory (DFT) within the Vienna Ab initio Simulation Package (VASP). The pristine NiZnO monolayer exhibits a notable magnetic moment of 1.937 μB, highlighting its intrinsic magnetic character. Adsorption energies for all alkali-metal configurations are negative, indicating thermodynamically favorable adsorption processes accompanied by energy dissipation. Detailed investigations of the dielectric function, absorption coefficient, and electron-hole density reveal significant modifications in optical absorption spectra, particularly within the visible range, upon adsorption. These findings emphasize the tunable magnetic and optical properties of alkali-metal-adsorbed NiZnO monolayers, underscoring their potential for advanced optoelectronic and spintronic applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"700 ","pages":"Article 416922"},"PeriodicalIF":2.8,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143223780","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}