Physica B-condensed Matter最新文献_第3页

HfP2 monolayer: A material with low lattice thermal conductivity and excellent thermoelectric performance HfP2单层：一种晶格导热系数低、热电性能优异的材料

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-17 DOI: 10.1016/j.physb.2025.417349

Gurpal Singh Khosa , Shuchi Gupta , Ranjan Kumar

{"title":"HfP2 monolayer: A material with low lattice thermal conductivity and excellent thermoelectric performance","authors":"Gurpal Singh Khosa , Shuchi Gupta , Ranjan Kumar","doi":"10.1016/j.physb.2025.417349","DOIUrl":"10.1016/j.physb.2025.417349","url":null,"abstract":"<div><div>Density functional theory based first principle calculations are performed to investigate the properties of <span><math><msub><mrow><mtext>HfP</mtext></mrow><mrow><mn>2</mn></mrow></msub></math></span> monolayer having hexagonal lattice structure (lattice constant = 3.98 Å). The investigated results show that it is an indirect band gap semiconductor with the energy band gap of 1.26 eV. The projected density of states calculation demonstrates that the band formation in <span><math><msub><mrow><mtext>HfP</mtext></mrow><mrow><mn>2</mn></mrow></msub></math></span> monolayer is mainly contributed by the ‘d’ and ‘p’ orbital of Hf and P atoms respectively. The non existence of imaginary curves in the phonon spectra, calculated cohesive energy and elastic constants confirmed that <span><math><msub><mrow><mtext>HfP</mtext></mrow><mrow><mn>2</mn></mrow></msub></math></span> monolayer is dynamically, energetically and mechanically stable. In order to assess the thermoelectric performance of <span><math><msub><mrow><mtext>HfP</mtext></mrow><mrow><mn>2</mn></mrow></msub></math></span> monolayer, the electronic transport coefficients and lattice thermal conductivity has been calculated. It is found to possess a large Gruneisen parameter and low phonon group velocity, hence a low lattice thermal conductivity of 0.12 Wm<sup>−1</sup>K<sup>−1</sup> at room temperature. At room temperature, the n-type (p-type) monolayer is found to have a ZT value of 1.81 (1.34). The obtained results show that <span><math><msub><mrow><mtext>HfP</mtext></mrow><mrow><mn>2</mn></mrow></msub></math></span> monolayer could be used as a thermoelectric material.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417349"},"PeriodicalIF":2.8,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098902","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

Molecular simulation study of the subsurface damage mechanism of silicon carbide/aluminum composites during laser-assisted grinding 激光辅助磨削过程中碳化硅/铝复合材料亚表面损伤机理的分子模拟研究

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-17 DOI: 10.1016/j.physb.2025.417394

Tinghong Gao , Qi Li , Kejun Dong , Guiyang Liu , Wanjun Yan , Jin Huang , Han Song , Zhan zhang

{"title":"Molecular simulation study of the subsurface damage mechanism of silicon carbide/aluminum composites during laser-assisted grinding","authors":"Tinghong Gao , Qi Li , Kejun Dong , Guiyang Liu , Wanjun Yan , Jin Huang , Han Song , Zhan zhang","doi":"10.1016/j.physb.2025.417394","DOIUrl":"10.1016/j.physb.2025.417394","url":null,"abstract":"<div><div>Silicon carbide/aluminum (SiC/Al) composites are extensively utilized in applications requiring high temperatures, frequencies, power densities, and radiation resistance because of their exceptional physical and electronic properties. They exhibit high toughness, fatigue resistance, strength, and wear resistance as well as a low thermal expansion coefficient. This research investigates the behavior of SiC/Al composites when subjected to single-particle laser-assisted grinding through molecular dynamics simulations and probes the grinding force, stress distribution, subsurface damage mechanism and the dynamic characteristics of topologically close-packed (TCP). The primary objective is to provide theoretical support for optimizing SiC/Al parameters in ultraprecision grinding. The findings highlight the pivotal role of the laser power density in the damage progression of SiC/Al composites. With increasing laser power density, the temperature within the SiC region increases, promoting the crystalline–amorphous transition of the SiC composite. Compared to traditional grinding methods, laser-assisted grinding exhibits superior efficacy in reducing subsurface damage depth and reducing the grinding forces acting on the abrasive in all directions. Furthermore, the laser power density substantially influences the deformation characteristics, stress distribution, and grinding force on the workpiece surface during laser-assisted grinding. Applying optimal laser power density can substantially decrease SiC atom extrusion toward the Al side, thereby minimizing material damage and enhancing processing efficiency.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417394"},"PeriodicalIF":2.8,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144116865","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

Novel insights into microwave–induced magnetoresistance oscillations in GaAs, AlN, and InN materials of Pöschl–Teller quantum wells: A study based on the quantum kinetic equation Pöschl-Teller量子阱中GaAs， AlN和InN材料中微波诱导磁阻振荡的新见解：基于量子动力学方程的研究

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-17 DOI: 10.1016/j.physb.2025.417355

Nguyen Cong Toan , Le Nguyen Dinh Khoi , Tran Ky Vi , Nguyen Viet Anh , Nguyen Dang Quang Huy , Duong Dai Phuong , Anh-Tuan Tran

{"title":"Novel insights into microwave–induced magnetoresistance oscillations in GaAs, AlN, and InN materials of Pöschl–Teller quantum wells: A study based on the quantum kinetic equation","authors":"Nguyen Cong Toan , Le Nguyen Dinh Khoi , Tran Ky Vi , Nguyen Viet Anh , Nguyen Dang Quang Huy , Duong Dai Phuong , Anh-Tuan Tran","doi":"10.1016/j.physb.2025.417355","DOIUrl":"10.1016/j.physb.2025.417355","url":null,"abstract":"<div><div>We present a theoretical study of microwave-induced magnetoresistance oscillations in Pöschl–Teller quantum wells for GaAs and group III-nitride materials (AlN and InN). Employing the quantum kinetic equation approach, we derive analytical expressions for magnetoresistance, explicitly accounting for electron–acoustic phonon interactions at low temperatures. The results reveal strong dependence of the oscillations on magnetic field, temperature, structural parameters, microwave intensity, and photon energy. In the absence of microwave, conventional Shubnikov–de Haas oscillations are recovered, whose amplitude decreases with increasing temperature, in good agreement with previous theoretical and experimental results. Under terahertz microwave fields, pronounced beat patterns emerge in GaAs and InN, while the effect is negligible in AlN. Cyclotron resonance appears in all materials, accompanied by subsidiary maxima at half-integer frequency ratios. Additionally, the oscillation amplitude increases significantly with higher microwave intensity. These findings offer insights into the interplay between microwaves and magnetotransport in semiconductor heterostructures and guide quantum device applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417355"},"PeriodicalIF":2.8,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089658","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

Effect of temperature on the spin polarization of the π−electrons in silicene 温度对硅烯中π−电子自旋极化的影响

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-17 DOI: 10.1016/j.physb.2025.417354

S. Rastgoo, F. Parsaei

引用次数: 0

Impact of geometry on magnetic behavior in rectangular, square, diamond, and triangular graphene nanostructures: A Monte Carlo study 几何形状对矩形、方形、菱形和三角形石墨烯纳米结构磁性行为的影响：蒙特卡罗研究

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-17 DOI: 10.1016/j.physb.2025.417384

Doha Kabouchi , R. El Fdil , Z. Fadil , Chaitany Jayprakash Raorane , E. Salmani , B. Kabouchi , Fohad Mabood Husain

引用次数: 0

Structural, magnetic, and mechanical properties enhancement in Mn-Zn ferrites via controlled lithium ion doping 通过控制锂离子掺杂提高Mn-Zn铁氧体的结构、磁性和机械性能

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-16 DOI: 10.1016/j.physb.2025.417393

Naeimeh Torabi , Hamid Reza Savabieh , Ali Elahi

{"title":"Structural, magnetic, and mechanical properties enhancement in Mn-Zn ferrites via controlled lithium ion doping","authors":"Naeimeh Torabi , Hamid Reza Savabieh , Ali Elahi","doi":"10.1016/j.physb.2025.417393","DOIUrl":"10.1016/j.physb.2025.417393","url":null,"abstract":"<div><div>In this work, lithium-doped manganese-zinc (Mn-Zn) ferrites were synthesized using a conventional solid-state route to investigate the effects of lithium (Li<sup>+</sup>) incorporation on their structural, magnetic, and mechanical properties. The main objective was to develop phase-pure and mechanically robust magnetic ceramics suitable for high-frequency applications. Ferrite compositions with various Li<sup>+</sup> contents (x = 0, 0.03, 0.05, and 0.1) were sintered under controlled atmosphere to promote densification and phase purity. XRD and FTIR analyses confirmed spinel structure formation and the suppression of hematite as a secondary phase with increasing Li<sup>+</sup>. SEM results revealed enhanced microstructural uniformity, while mechanical tests showed a 28 % increase in flexural strength. Magnetic measurements indicated that saturation magnetization (Ms) increased from 60.8 to 78.4 emu/g with Li<sup>+</sup> addition. These results demonstrate that controlled lithium doping is an effective strategy for tailoring both the magnetic and mechanical performance of Mn-Zn ferrite ceramics.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417393"},"PeriodicalIF":2.8,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089736","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

Transition temperature and thermodynamic properties of homogeneous weakly interacting Bose gas in self-consistent Popov approximation 自一致波波夫近似下均匀弱相互作用玻色气体的转变温度和热力学性质

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-16 DOI: 10.1016/j.physb.2025.417356

Nguyen Van Thu, Pham Duy Thanh, Lo Thi Thuy

引用次数: 0

Enhanced thermoelectric properties of Zintl compound KCaBi by tensile strain: A first-principles study 拉伸应变增强Zintl化合物KCaBi的热电性能：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 : 2025-05-15 DOI: 10.1016/j.physb.2025.417338

Junhui Xiang , Tingting Zhang , Suiting Ning , Man Jiang , Ning Qi , Zhiquan Chen

{"title":"Enhanced thermoelectric properties of Zintl compound KCaBi by tensile strain: A first-principles study","authors":"Junhui Xiang , Tingting Zhang , Suiting Ning , Man Jiang , Ning Qi , Zhiquan Chen","doi":"10.1016/j.physb.2025.417338","DOIUrl":"10.1016/j.physb.2025.417338","url":null,"abstract":"<div><div>Recently Zintl phase compound KCaBi has emerged as a potential candidate for thermoelectric materials because of its extremely low lattice thermal conductivity. Applying strain is an effective approach for modulating the properties of thermoelectric materials. In this study, first-principles calculations and Boltzmann transport theory were used to explore the optimization of thermoelectric properties of the Zintl compound KCaBi under tensile strains ranging from 2% to 4%. Because of the low lattice thermal conductivity, the Zintl compound KCaBi exhibits excellent thermoelectric properties, with a maximum <span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span> value of 1.39 for n-type KCaBi and 2.09 for p-type KCaBi at 800 K. Furthermore, applying tensile strain can moreover reduce the lattice thermal conductivity, thereby improving the thermoelectric performance of KCaBi. Under tensile strain of 4%, the optimal <span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span> of n-type KCaBi at 300 K along (a(b), c) direction increases from (0.25, 0.40) to (0.65, 1.05), while that of p-type KCaBi along (a(b), c) direction increases from (0.75, 0.78) to (1.31, 1.71). However, the tensile strain causes substantial reduction in the band gap of KCaBi, which leads to the bipolar effect at higher temperatures. This largely weakens the enhancement of thermoelectric performance by tensile strain, especially in n-type KCaBi. Despite of the bipolar effect at high temperature, there is still a considerable improvement of the average <span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span> by tensile strain. Our results demonstrate that both n-type and p-type KCaBi exhibit great potential for thermoelectric applications, and applying tensile strain can effectively improve the thermoelectric properties.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417338"},"PeriodicalIF":2.8,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089696","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

Comparative analysis of optoelectronic and structural characteristics in electrochemically synthesized hybrid-nanocomposites based on PANI-CSA/metal oxide nanoparticles 电化学合成聚苯胺- csa /金属氧化物纳米复合材料的光电特性和结构特性比较分析

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-15 DOI: 10.1016/j.physb.2025.417380

Tariq AlZoubi , Mahmoud Al-Gharram , Ghaseb Makhadmeh , Osamah Abu Noqta

{"title":"Comparative analysis of optoelectronic and structural characteristics in electrochemically synthesized hybrid-nanocomposites based on PANI-CSA/metal oxide nanoparticles","authors":"Tariq AlZoubi , Mahmoud Al-Gharram , Ghaseb Makhadmeh , Osamah Abu Noqta","doi":"10.1016/j.physb.2025.417380","DOIUrl":"10.1016/j.physb.2025.417380","url":null,"abstract":"<div><div>The strategic integration of conductive polymers with transition metal oxide nanoparticles (NPs) offers a promising route to engineer multifunctional nanocomposite systems with tailored optoelectronic properties. In this work, we report the electrochemical synthesis and detailed characterization of PANI-CSA-based hybrid nanocomposites embedded with 12 wt% of CoFe<sub>2</sub>O<sub>4</sub>, Co<sub>3</sub>O<sub>4</sub>, and Fe<sub>2</sub>O<sub>3</sub> nanoparticles. Thin films were deposited via in situ electrodeposition onto ITO-glass substrates, enabling precise control over composition and morphology. Comprehensive optical analysis via UV–Vis spectroscopy revealed NP-induced modulation of key optical parameters, including enhanced absorption, modified refractive indices, and tunable optical bandgaps. Tauc plot analysis indicated systematic bandgap shifts ranging from 3.48 to 3.61 eV, while Urbach energy trends reflected variations in structural disorder. XRD confirmed increased crystalline and the formation of larger crystallites upon nanoparticle incorporation, consistent with interfacial ordering effects. FTIR spectra substantiated strong molecular interactions between PANI chains and metal oxide surfaces, while SEM micrographs exhibited dense fibrous morphologies supporting effective charge transport pathways. Electrical conductivity measurements, performed via a four-point probe, demonstrated high conductivity (77.3–79.9 S cm<sup>−1</sup>), with the Co<sub>3</sub>O<sub>4</sub>-based system exhibiting superior performance, attributable to enhanced crystallinity and potential p-type doping effects. Collectively, these results highlight the efficacy of metal oxide NPs as secondary dopants in modulating the optoelectronic response of PANI-CSA, positioning these hybrid films as viable candidates for advanced optoelectronic applications, including optical sensors and flexible electronic devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417380"},"PeriodicalIF":2.8,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089737","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

Preparation and performance analysis of Zn-Ni/SiC composite coatings for oil pipeline applications 石油管道用Zn-Ni/SiC复合涂层的制备及性能分析

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-15 DOI: 10.1016/j.physb.2025.417391

Hui Zhang, Lan Zhang, Huizhong Ma

{"title":"Preparation and performance analysis of Zn-Ni/SiC composite coatings for oil pipeline applications","authors":"Hui Zhang, Lan Zhang, Huizhong Ma","doi":"10.1016/j.physb.2025.417391","DOIUrl":"10.1016/j.physb.2025.417391","url":null,"abstract":"<div><div>To enhance the corrosion resistance and drag reduction performance of X80 pipeline steel used in oil transportation, Zn-Ni/SiC coatings were prepared via direct current electrodeposition. Unlike previous studies that focused on Zn-Ni coatings, this work systematically investigates the role of SiC content on phase evolution, microstructure, and surface functional properties. A particular novelty of this study lies in the promotion of the γ-Ni<sub>5</sub>Zn<sub>21</sub> phase and suppression of the η-Zn phase through SiC incorporation. The coating with 4 g/L SiC exhibited the best performance, achieving a 167.6 % increase in microhardness, 49.4 % and 48.1 % reductions in wear rate and friction coefficient, a 49.9 % increase in contact angle, and a 73.3 % improvement in polarization resistance. These enhancements were attributed to grain refinement, dispersion strengthening, and improved surface uniformity. This study offers new insights into the design of multifunctional Zn-Ni-based composite coatings and provides theoretical support for protecting pipeline steels in corrosive service environments.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417391"},"PeriodicalIF":2.8,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070748","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