Physica B-condensed Matter最新文献_第3页

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

Plasmon-phonon interaction and surface optical mode in Cd1-xFexTe1-ySey single crystals Cd1-xFexTe1-ySey单晶的等离子体-声子相互作用和表面光学模式

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.2025.417392

Jelena Mitric , Maja Romcevic , Witold D. Dobrowolski , Andrzej Mycielski , Nebojsa Romcevic

{"title":"Plasmon-phonon interaction and surface optical mode in Cd1-xFexTe1-ySey single crystals","authors":"Jelena Mitric , Maja Romcevic , Witold D. Dobrowolski , Andrzej Mycielski , Nebojsa Romcevic","doi":"10.1016/j.physb.2025.417392","DOIUrl":"10.1016/j.physb.2025.417392","url":null,"abstract":"<div><div>The interaction between electrons and phonons represents a notable phenomenon in the realm of condensed matter physics, exerting a substantial influence on diverse electronic and optical characteristics of materials. Within this context, an exhaustive investigation of the Raman and Far – Infrared reflectivity spectra of Cd<sub>1-x</sub>Fe<sub>x</sub>Te<sub>1-y</sub>Se<sub>y</sub> single crystals can yield valuable insights into the various impacts of Plasmon – phonon interactions on the fundamental physics of II – IV semiconductors. Spectral analysis was executed employing a suitable fitting procedure. In the analysis of Far – infrared spectra, a dielectric function incorporating the presence of Plasmon – LO phonon interaction was employed. Three principal lines in the spectra, contingent upon the composition, were discerned at approximately 140 cm<sup>−1</sup>, 170 cm<sup>−1</sup> and 200 cm<sup>−1</sup>. 140 cm<sup>−1</sup> feature corresponds to the longitudinal – transverse (LO – TO) splitting of the CdTe – like mode. The 170 cm<sup>−1</sup> feature is associated with CdSe, while the 200 cm<sup>−1</sup> feature is linked to the local Fe mode. These features were elucidated within the framework of the modified random – element – isodisplacement (MREI) mode. The calculated phonon frequencies demonstrated a high level of agreement with experimentally determined values. Additionally, in all samples, a surface layer characterized by a low concentration of free carriers (depleted region) was formed. Consequently, a surface optical mode (SOP) was registered at approximately 150 cm<sup>−1</sup> in samples with a predominant CdTe component (y less that 15 %) and at around 190 cm<sup>−1</sup> in samples with a majority CdSe content (y greater than 95 %).</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417392"},"PeriodicalIF":2.8,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089656","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

Hybrid tribo-piezoelectric microgenerator for mechanical energy harvesting 用于机械能收集的混合摩擦-压电微型发电机

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.2025.417382

Walid Askri, Julien Le Scornec, Raynald Séveno, Benoit Guiffard

引用次数: 0

Two-fold effect of compressive stress on stacking-fault tetrahedron formation in face-centered cubic metals 压应力对面心立方金属堆积-断层四面体形成的双重影响

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-14 DOI: 10.1016/j.physb.2025.417388

Xinyu Liu , Hongxian Xie

引用次数: 0

Magnetic properties of a graphene-like Heisenberg system with four-sublattice superlattice 具有四亚晶格超晶格的类石墨烯海森堡体系的磁性

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-14 DOI: 10.1016/j.physb.2025.417376

Xin Liu, Shuangshuang Liu, Xiuli Kai, Fan Zhang

引用次数: 0

Nonreciprocal entanglement in a molecular optomechanical system 分子光力学系统中的非互易纠缠

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-14 DOI: 10.1016/j.physb.2025.417313

E. Kongkui Berinyuy , Jia-Xin Peng , Amjad Sohail , P. Djorwé , A.-H. Abdel-Aty , N. Alessa , K.S. Nisar , S.G. Nana Engo

{"title":"Nonreciprocal entanglement in a molecular optomechanical system","authors":"E. Kongkui Berinyuy , Jia-Xin Peng , Amjad Sohail , P. Djorwé , A.-H. Abdel-Aty , N. Alessa , K.S. Nisar , S.G. Nana Engo","doi":"10.1016/j.physb.2025.417313","DOIUrl":"10.1016/j.physb.2025.417313","url":null,"abstract":"<div><div>We propose a theoretical scheme to generate nonreciprocal bipartite entanglement between a cavity mode and vibrational modes in a molecular cavity optomechanical system. Our system consists of <span><math><mi>N</mi></math></span> molecules placed inside a spinning whispering-gallery-mode (WGM) resonator. The vibrational modes of these molecules are coupled to the WGM resonator mode (which is analogous to a plasmonic cavity) and the resonator is also coupled to an auxiliary optical cavity. We demonstrate that nonreciprocal photon-vibration entanglement and nonreciprocal vibration–vibration entanglement can be generated in this system, even at high temperatures. These nonreciprocal entanglements arise due to the Sagnac–Fizeau effect induced by the spinning WGM resonator. We find that spinning the WGM resonator in the counter-clockwise (CCW) direction enhances both types of nonreciprocal entanglement, especially under blue-detuned driving of the optical cavity mode. Furthermore, we show that vibration–vibration entanglement can be significantly enhanced by increasing the number of molecules. Our findings have potential applications in quantum information transmission and in the development of nonreciprocal quantum devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417313"},"PeriodicalIF":2.8,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144116868","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

Tailoring thermal and mechanical properties of InTe membranes through nanoporosity: A molecular dynamics approach 通过纳米孔隙度调整InTe膜的热力学性能：分子动力学方法

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-13 DOI: 10.1016/j.physb.2025.417336

Mohamed Saaoud , Fatima Zahra Zanane , Lalla Btissam Drissi

{"title":"Tailoring thermal and mechanical properties of InTe membranes through nanoporosity: A molecular dynamics approach","authors":"Mohamed Saaoud , Fatima Zahra Zanane , Lalla Btissam Drissi","doi":"10.1016/j.physb.2025.417336","DOIUrl":"10.1016/j.physb.2025.417336","url":null,"abstract":"<div><div>Molecular dynamics simulations reveal how nanoporosity (0–20.1%) and temperature critically influence indium telluride (InTe) membranes for nanoelectronic applications. Mechanical properties degrade progressively with porosity: Young’s modulus declines from 43.5 GPa (pristine) by 9.7–37.9% across 2.32–20.1% porosity, while ultimate strength shows anisotropic reduction (21.4–50.0% zigzag, 32.8–61.2% armchair). Thermal conductivity drops 49.5% (40.36 to 20.4 W/m K) at 20.1% porosity due to phonon scattering, yet increases 68.4–85.4% with system length scaling (38 to 152 nm). Temperature induces fracture mode switching from zigzag to armchair propagation and exacerbates phonon-defect interactions. The observed length-dependent thermal enhancement suggests nanostructuring as an effective compensation strategy for porosity-induced losses. This work provides a computational framework for tailoring InTe membranes to specific application requirements, balancing structural integrity against thermal management needs in nanoelectronics and energy conversion devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417336"},"PeriodicalIF":2.8,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070093","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

Optical properties and thermal stability of LiYGeO4: Pr3+ red phosphor for solid-state lighting 固态照明用LiYGeO4: Pr3+红色荧光粉的光学性质和热稳定性

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-05-13 DOI: 10.1016/j.physb.2025.417390

Qin Lu , Hui Guo , Jing Xie , Weichao Huang , Dongni Wu

{"title":"Optical properties and thermal stability of LiYGeO4: Pr3+ red phosphor for solid-state lighting","authors":"Qin Lu , Hui Guo , Jing Xie , Weichao Huang , Dongni Wu","doi":"10.1016/j.physb.2025.417390","DOIUrl":"10.1016/j.physb.2025.417390","url":null,"abstract":"<div><div>The red-emitting phosphor LiYGeO<sub>4</sub>: Pr<sup>3+</sup> was synthesized by a conventional high-temperature solid-state reaction. Various analytical techniques were employed to investigate its properties, including scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance (EPR), photoluminescence spectroscopy, and afterglow decay measurements. Density functional theory (DFT) calculations were conducted to examine the energy band structure, density of states, and pressure-dependent optical properties. Under 480 nm excitation, LiYGeO<sub>4</sub>: Pr<sup>3+</sup> shows a broad emission band covering 500–660 nm, with the most intense red emission at 599 nm originating from the <sup>1</sup>D<sub>2</sub>→<sup>3</sup>H<sub>4</sub> transition of Pr<sup>3+</sup>. The luminescence intensity remained 65.56 % of its initial value at a temperature of 423 K. Fluorescence intensity ratio (FIR) analysis demonstrated excellent optical thermometric performance with a maximum relative sensitivity of 2.6 % K<sup>−1</sup> at 298 K. DFT calculations indicate that Pr<sup>3+</sup> doping narrows the bandgap of the host lattice and enhances electron transition probabilities. Moreover, the optical absorption coefficient shows pressure dependence, suggesting potential applications in pressure-tunable optoelectronic devices. These findings establish LiYGeO<sub>4</sub>: Pr<sup>3+</sup> as a promising candidate for blue-light-excited solid-state lighting and pressure-sensitive photonic applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417390"},"PeriodicalIF":2.8,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144116864","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