Physica B-condensed Matter最新文献_第3页

Exploration of Sn-based janus materials for emerging renewable energy applications 探索用于新兴可再生能源应用的锡基 janus 材料

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-19 DOI: 10.1016/j.physb.2024.416755

Abdul Wahab , Farooq Ali , Mazia Asghar , Hamid Ullah , Sohail Iftikhar , Young-Han Shin , Ramesh Sharma , Essam A. Al-Ammar

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Magnetic structure and magnetic properties of Fe3BO5 and Mn3BO5 ludwigites Fe3BO5 和 Mn3BO5 褐铁矿的磁结构和磁性能

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-19 DOI: 10.1016/j.physb.2024.416754

Natalia Zamkova , Vyacheslav Zhandun

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A stunning sensitive isopropanol gas sensor based on ZnMn2O4 microspheres 基于 ZnMn2O4 微球的超灵敏异丙醇气体传感器

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-18 DOI: 10.1016/j.physb.2024.416752

Zivar Azmoodeh , Seyedeh Faezeh Hashemi Karouei , Abbas Bagheri Khatibani , Arefeh Rezapour , Hossain Milani Moghaddam , Shahruz Nasirian

{"title":"A stunning sensitive isopropanol gas sensor based on ZnMn2O4 microspheres","authors":"Zivar Azmoodeh , Seyedeh Faezeh Hashemi Karouei , Abbas Bagheri Khatibani , Arefeh Rezapour , Hossain Milani Moghaddam , Shahruz Nasirian","doi":"10.1016/j.physb.2024.416752","DOIUrl":"10.1016/j.physb.2024.416752","url":null,"abstract":"<div><div>The pure porous ZnMn<sub>2</sub>O<sub>4</sub> microspheres were prepared by a one-step hydrothermal technique with different concentrations of Urea (ZU). Various techniques including XRD, FESEM, PL, UV–Vis, FT-IR and EDS were used to study the structural and morphological properties of the obtained samples. The results show that the obtained samples have high purity and by changing the concentration of urea, the microspheres have rough surfaces, which is useful for gas sensing properties. Then, the gas sensor properties of the fabricated sensor layers were investigated for isopropanol vapor with different concentrations at different working temperatures. Gas sensing results confirm that the ZU films exhibit a high response of 5.54 for ZU3 (500 ppm isopropanol), a very fast response time of 2.5 s for ZU2 (400 ppm) and ZU3 (300 ppm), and excellent selectivity with a difference of approximately 107 % compared to DMF at a relatively low temperature. In addition, the gas sensing mechanism was also thoroughly discussed.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416752"},"PeriodicalIF":2.8,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723875","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}

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Synthesis, down-conversion luminescence, and Judd-Ofelt analysis of Eu3+ ions activated in K2MgP2O7 nanophosphor K2MgP2O7 纳米磷中活化的 Eu3+ 离子的合成、下转换发光和 Judd-Ofelt 分析

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-16 DOI: 10.1016/j.physb.2024.416750

Arti Khajuria, Vishav Deep Sharma, Pooja Khajuria, Ram Prakash

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First-principles calculations on the mechanical, electronic and thermodynamic properties of t-C88 carbon allotrope under high pressure

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-16 DOI: 10.1016/j.physb.2024.416748

P. Arjun , V. Nagarajan , R. Chandiramouli

{"title":"First-principles calculations on the mechanical, electronic and thermodynamic properties of t-C88 carbon allotrope under high pressure","authors":"P. Arjun , V. Nagarajan , R. Chandiramouli","doi":"10.1016/j.physb.2024.416748","DOIUrl":"10.1016/j.physb.2024.416748","url":null,"abstract":"<div><div>The new tetragonal carbon allotrope t-C<sub>88</sub>, which is the subject of this work, is distinguished by its distinct mechanical performance at high pressure and structural characteristics. t-C<sub>88</sub> shows hybridization of <em>sp</em><sup><em>2</em></sup> and <em>sp</em><sup><em>3</em></sup> carbon atoms, in contrast to other carbon compounds that are mostly made of <em>sp</em><sup><em>2</em></sup>-hybridized carbon atoms. We investigated the elastic characteristics and anisotropy of t-C<sub>88</sub> at different pressures (0–20 GPa) using first-principles computations. Our results show that t-C<sub>88</sub> exhibits strong elastic anisotropy, especially above 15 GPa, and retains mechanical stability by meeting Born-Huang requirements. In order to emphasize the material's reaction to high pressure, this study offers a wealth of information on the following criteria: Poisson's ratio (v), bulk modulus (B), shear modulus (G), Young's modulus (E), elastic constants (Cij), and universal anisotropy (A<sup>U</sup>). Interestingly, t-C<sub>88</sub> shows more resistance to compressional deformation than shear deformation. The high B/G ratio of t-C<sub>88</sub> indicates that its mechanical characteristics indicate that it will become ductile with increasing pressure. Moreover, the understanding of t-C<sub>88</sub> under high-pressure conditions will open viable options for various applications, including high-performance composites for enhanced strength and durability, protective coatings requiring superior mechanical stability, advanced sensors due to its tuneable electronic properties, energy storage devices leveraging its unique characteristics, and electronic components.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416748"},"PeriodicalIF":2.8,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142745358","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

Optimization of CTS thin film solar cell: A numerical investigation based on USP deposited thin films 优化 CTS 薄膜太阳能电池：基于 USP 沉积薄膜的数值研究

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-16 DOI: 10.1016/j.physb.2024.416751

Sabina Rahaman , Monoj Kumar Singha , Paramita Sarkar , M. Anantha Sunil , Kaustab Ghosh

{"title":"Optimization of CTS thin film solar cell: A numerical investigation based on USP deposited thin films","authors":"Sabina Rahaman , Monoj Kumar Singha , Paramita Sarkar , M. Anantha Sunil , Kaustab Ghosh","doi":"10.1016/j.physb.2024.416751","DOIUrl":"10.1016/j.physb.2024.416751","url":null,"abstract":"<div><div>CTS (Cu<sub>2</sub>SnS<sub>3</sub>) can be used in the next generation of thin-film solar cells due to its non-toxicity, affordability, and natural availability. CTS has a direct bandgap, high absorption coefficient, making it an attractive and environmentally friendly choice for fabrication of solar cells. Ultrasonic spray pyrolysis is used to deposit CTS (absorber layer) and ZnS (buffer layer) films and they are characterized by XRD, SEM and UV–Vis spectroscopy. Based on experimental results, numerical simulation has been performed using SCAPS 1D. FTO/CTS/ZnS/Ag is the structure of device, where Ag act as an electrode. In this paper, a study is carried out to investigate the effects of thickness, doping concentrations in CTS and ZnS layer, working temperatures, bandgap variations, and defect densities on these solar cells. At the temperature of 300K, the proposed cell exhibits a power conversion efficiency of 8.25 %, open circuit voltage 0.4252V, short circuit current 24.82 mA/cm<sup>2</sup>, FF 78.18 % respectively.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"698 ","pages":"Article 416751"},"PeriodicalIF":2.8,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723808","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

The effect of interface strains induced by various ferroelectric top layers on the magnetoelectric behavior for bilayer heterostructure 各种铁电顶层引起的界面应变对双层异质结构磁电行为的影响

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-15 DOI: 10.1016/j.physb.2024.416706

TingXian Li , Ruolan Li , Xinhao Shen , Xinyi Zhang , Chenkai Yuan

{"title":"The effect of interface strains induced by various ferroelectric top layers on the magnetoelectric behavior for bilayer heterostructure","authors":"TingXian Li , Ruolan Li , Xinhao Shen , Xinyi Zhang , Chenkai Yuan","doi":"10.1016/j.physb.2024.416706","DOIUrl":"10.1016/j.physb.2024.416706","url":null,"abstract":"<div><div>Using PLD technique, highly <strong><em>c</em></strong>-axis oriented bilayer heterostructures based on ferromagnetic La<sub>0.7</sub>Sr<sub>0.3</sub>MnO<sub>3</sub> (LSMO) have been epitaxially grown on (001) oriented LaAlO<sub>3</sub> (LAO) substrates with ferroelectric layers of PbZr<sub>0.52</sub>Ti<sub>0.48</sub>O<sub>3</sub> (PZT) or BaTiO<sub>3</sub> (BTO). The interface strain values at the top of LSMO are influenced by distinct ferroelectric top layers, which results in a slightly weaker saturation magnetization strength in the PZT/LSMO heterostructure than that in the BTO/LSMO heterostructure. The correlation between the frequency of the AC excitation magnetic field and the variation of the ME voltage coefficient (<strong><em>α</em></strong><sub><strong><em>E</em></strong></sub>) indicates that both heterostructures present strong room-temperature dynamic ME coupling behavior. The <strong><em>α</em></strong><sub><strong><em>E</em></strong></sub> value increases rapidly with increasing frequency before stabilizing. These two bilayer multiferroic heterostructures also exhibit the self-biased ME coupling effect, as demonstrated by the variations in the <strong><em>α</em></strong><sub><strong><em>E</em></strong></sub> value with the DC bias magnetic field strength.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"697 ","pages":"Article 416706"},"PeriodicalIF":2.8,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701477","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

First-principles studies on the magnetic properties, exchange interactions and spin Hall conductivity of the half-Heusler alloy MgMnGe 关于半休斯勒合金镁锰锗的磁性、交换相互作用和自旋霍尔电导率的第一性原理研究

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-15 DOI: 10.1016/j.physb.2024.416661

Safikul Islam, Niladri Sekhar Kander, Sajib Biswas, Amal Kumar Das

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Strain engineered structural, mechanical and electronic properties of monolayer phosphorene: A DFT study 单层磷烯的应变工程结构、机械和电子特性：DFT 研究

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-14 DOI: 10.1016/j.physb.2024.416742

Guruprasad Sahoo, Aiswarya Biswal

{"title":"Strain engineered structural, mechanical and electronic properties of monolayer phosphorene: A DFT study","authors":"Guruprasad Sahoo, Aiswarya Biswal","doi":"10.1016/j.physb.2024.416742","DOIUrl":"10.1016/j.physb.2024.416742","url":null,"abstract":"<div><div>Role of strain in engineering structural, mechanical and electronic properties and their anisotropy in monolayer phosphorene has been investigated using density functional calculations. The in-plane Youngs's modulus, estimated as 102.45 N/m and 23.43 N/m along zigzag and armchair directions, respectively confirms substantial elastic anisotropy. Phosphorene is also verified as a super flexible material which can withstand a tensile strain up to 35 % (70 %) along zigzag (armchair) direction. Furthermore, band gap (<em>E</em><sub><em>g</em></sub>) engineering, band dispersion mechanism, multiple direct-to-indirect band gap transition, semiconductor-to-metal transition, anisotropy in carrier effective mass in phosphorene due to application of strain has been comprehensively investigated and explained. It is predicted that, <em>E</em><sub><em>g</em></sub> of phosphorene can be widely tuned in the range, 0–1.12 eV by applying compressive and tensile strains. The observed super flexible nature, wide tunable electronic properties and their anisotropy recommends phosphorene a preferred material for designing flexible optoelectronic devices with directional selectivity.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"697 ","pages":"Article 416742"},"PeriodicalIF":2.8,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701576","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

Hexagonal group IV-V (IV=C, Si, Ge, V=N, P, As) binary monolayers: First-principles study 六方 IV-V 族（IV=C、Si、Ge，V=N、P、As）二元单层：第一原理研究

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2024-11-14 DOI: 10.1016/j.physb.2024.416747

Yanju Ji, Jiale Dai, Yuanfeng Xu

{"title":"Hexagonal group IV-V (IV=C, Si, Ge, V=N, P, As) binary monolayers: First-principles study","authors":"Yanju Ji, Jiale Dai, Yuanfeng Xu","doi":"10.1016/j.physb.2024.416747","DOIUrl":"10.1016/j.physb.2024.416747","url":null,"abstract":"<div><div>A series of hexagonal group IV-V (IV=C, Si, Ge, V=N, P, As) phase-α and -β monolayers are studied using the first-principle calculation. The 18 monolayers are all optical transparent semiconductors with band gaps in the range of 1.91–6.06 eV and have good light adsorption in UV range. And each monolayer has its own unique properties. The CN phase-α and -β monolayers have good mechanical properties (large 2D Young's moduli, 555.3 N m<sup>−1</sup> and 585.5 N m<sup>−1</sup>) comparable to that of two layer graphene. The CP-β monolayer is the only one with direct band gap and can translate into indirect semiconductor when applied biaxial tensile strain greater than 4 %, while the CP-α, CAs-α and CAs-β monolayers can realize the transition from the indirect semiconductor to direct one with 6–10 % biaxial tensile strain. The SiN and GeN monolayers are ductile with large Poisson's ratio (∼0.30). And the GeN monolayers can maintain indirect band gaps under 10 % strain and have linear relationships between the band gaps and strains. The GeAs monolayers have partial light adsorption in visible range (several 10<sup>4</sup> cm<sup>−1</sup> in 390–450 nm) and possess water-splitting photocatalytic properties under suitable conditions (neutral and alkaline for the GeAS-α and alkaline for GeAS-β). The different properties of each hexagonal group IV-V (IV=C, Si, Ge, V=N, P, As) binary monolayers can be potential applied in different two dimensional electronic devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"697 ","pages":"Article 416747"},"PeriodicalIF":2.8,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142701479","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