Physica B-condensed Matter最新文献

{"title":"Plasmon-phonon interaction and surface optical mode in Cd1-xFexTe1-ySey single crystals","authors":"Jelena Mitric ,&nbsp;Maja Romcevic ,&nbsp;Witold D. Dobrowolski ,&nbsp;Andrzej Mycielski ,&nbsp;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_1-xFe_xTe_1-ySe_y 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⁻¹, 170 cm⁻¹ and 200 cm⁻¹. 140 cm⁻¹ feature corresponds to the longitudinal – transverse (LO – TO) splitting of the CdTe – like mode. The 170 cm⁻¹ feature is associated with CdSe, while the 200 cm⁻¹ 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⁻¹ in samples with a predominant CdTe component (y less that 15 %) and at around 190 cm⁻¹ 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}

{"title":"Hybrid tribo-piezoelectric microgenerator for mechanical energy harvesting","authors":"Walid Askri,&nbsp;Julien Le Scornec,&nbsp;Raynald Séveno,&nbsp;Benoit Guiffard","doi":"10.1016/j.physb.2025.417382","DOIUrl":"10.1016/j.physb.2025.417382","url":null,"abstract":"<div><div>In the present study, a hybrid triboelectric/piezoelectric generator was proposed to combine simultaneously the piezoelectric and triboelectric effects to improve the device's performances. When subjected to the shaker motion, the hybrid generator delivers an open circuit voltage of 318 V, a short-circuit current of 4.95 μA and a maximum power of 349 μW dissipated in a load resistance of 40 MΩ under the application of a force of 8.5 N at a frequency of 2 Hz after rectification by two diode bridges. A capacitor of 80 μF capacitance was charged with the piezoelectric, triboelectric and hybrid systems with vibrating shaker. Thanks to the triboelectric-piezoelectric hybridization, the charging time is reduced by 74 % compared to the piezoelectric system alone and 39 % compared to the triboelectric system alone. Finally, a temperature sensor was powered by a 1 mF capacitor charged to 4.5 V by the hybrid tribo/piezoelectric generator.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417382"},"PeriodicalIF":2.8,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144123484","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-fold effect of compressive stress on stacking-fault tetrahedron formation in face-centered cubic metals","authors":"Xinyu Liu ,&nbsp;Hongxian Xie","doi":"10.1016/j.physb.2025.417388","DOIUrl":"10.1016/j.physb.2025.417388","url":null,"abstract":"<div><div>Molecular dynamics simulations were employed to investigate the compressive stress effect on SFTs in Cu and Ni. The results show that compressive stress exerts a dual effect on SFT formation: on one hand, it facilitates the formation of small-size SFTs in Ni; on the other hand, the compressive stress can also disrupt the stableness of pre-existing SFTs. Furthermore, the dual effect of compressive stress on SFTs is verified in terms of energy. It is revealed that compressive stress can reduce the transformation barrier from vacancy platelets to SFTs, thereby promoting the formation of SFTs. Additionally, the transformation from SFT to Frank dislocation loop induced by compressive stress is further investigated in terms of enthalpy. Finally, the structural evolution of SFTs in Cu and Ni are summarized in the compressive stress SFT size space. The present work provided a deep understanding of the behavior of SFT in stress field.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417388"},"PeriodicalIF":2.8,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070747","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 properties of a graphene-like Heisenberg system with four-sublattice superlattice","authors":"Xin Liu,&nbsp;Shuangshuang Liu,&nbsp;Xiuli Kai,&nbsp;Fan Zhang","doi":"10.1016/j.physb.2025.417376","DOIUrl":"10.1016/j.physb.2025.417376","url":null,"abstract":"<div><div>The magnetic properties of a graphene-like Heisenberg system with four-sublattice superlattice are studied using the linear spin-wave theory. The spin-wave spectra have four branches with two energy gaps. The effects of intralayer exchange coupling and anisotropy on the energy gap width are analyzed, especially when the spin of sublattice A varies. These results help optimizing energy gaps and spin-wave resonance frequencies. At low temperature, magnetic moments remain nearly constant before decreasing with increasing temperature. At ground state, quantum fluctuations reduce sublattice magnetic moments below classical values. Sublattices C and D show a crossing point at their magnetic moments due to quantum, thermal fluctuations and spin frustration.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417376"},"PeriodicalIF":2.8,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144134411","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":"Nonreciprocal entanglement in a molecular optomechanical system","authors":"E. Kongkui Berinyuy ,&nbsp;Jia-Xin Peng ,&nbsp;Amjad Sohail ,&nbsp;P. Djorwé ,&nbsp;A.-H. Abdel-Aty ,&nbsp;N. Alessa ,&nbsp;K.S. Nisar ,&nbsp;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}

{"title":"Tailoring thermal and mechanical properties of InTe membranes through nanoporosity: A molecular dynamics approach","authors":"Mohamed Saaoud ,&nbsp;Fatima Zahra Zanane ,&nbsp;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}

{"title":"Optical properties and thermal stability of LiYGeO4: Pr3+ red phosphor for solid-state lighting","authors":"Qin Lu ,&nbsp;Hui Guo ,&nbsp;Jing Xie ,&nbsp;Weichao Huang ,&nbsp;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 LiYGeO₄: Pr³⁺ 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, LiYGeO₄: Pr³⁺ shows a broad emission band covering 500–660 nm, with the most intense red emission at 599 nm originating from the ¹D₂→³H₄ transition of Pr³⁺. 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⁻¹ at 298 K. DFT calculations indicate that Pr³⁺ 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 LiYGeO₄: Pr³⁺ 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}

{"title":"Investigation of pressure effects on binary carbides ZC (Z = Ti, Zr and Hf): Promising candidates as a coating materials","authors":"M.S. Islam ,&nbsp;Norah Algethami ,&nbsp;M. Sabah ,&nbsp;M.T. Ahmed ,&nbsp;M.A.H. Chowdhury ,&nbsp;Md. Shahidul Islam ,&nbsp;Md. Atikur Rahman ,&nbsp;R. Parvin ,&nbsp;M.S. Ali","doi":"10.1016/j.physb.2025.417387","DOIUrl":"10.1016/j.physb.2025.417387","url":null,"abstract":"<div><div>This study has investigated different physical properties of binary metallic carbides, <em>Z</em>C (<em>Z</em> = Ti, Zr and Hf) at ambient and under pressure for the first time. These compounds possess a combination of high strength, excellent machinability, thermal stability, normally brittle, and very high hardness. Under Born stability criteria, mechanical stability was ensured. Poisson's ratio, Pugh's ratio, and Cauchy pressure conditions reveal the brittle nature of <em>Z</em>C. However, at 25 GPa, ZrC shows ductile behavior. The band structure reveals the metallic nature of <em>Z</em>C as the band crosses the fermi level. The reflectivity and optical absorption of <em>Z</em>C indicate that the compounds have potential for use in the electronic devices as well as a coating material. The thermal properties of <em>Z</em>C imply that all the studied compounds could be used as superior heat coating in a nuclear power plant at a radiation environment condition and an extremely high temperature application.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417387"},"PeriodicalIF":2.8,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098901","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":"First principles study of photoelectric properties of BlueP/PtSSe heterojunction by strain and electric field","authors":"Yongchao zhao ,&nbsp;Mei Zhou ,&nbsp;Qiqi Tu ,&nbsp;Jiyu Liu ,&nbsp;Pengfei Wan","doi":"10.1016/j.physb.2025.417389","DOIUrl":"10.1016/j.physb.2025.417389","url":null,"abstract":"<div><div>Heterojunctions possess distinctive properties that make them highly suitable for optoelectronic applications. This study investigates the electrical and optical properties of two BlueP/PtSSe heterostructures: BlueP/SPtSe and BlueP/SePtS. The findings reveal that both heterojunctions are indirect bandgap semiconductors, with band gaps of 1.051 eV and 1.134 eV, respectively, facilitating effective photoexcited electron-hole pair separation and enhancing photoelectric conversion. External factors such as electric fields and biaxial strain can modify their characteristics. Specifically, tensile strain and electric fields lead to a reduction in the band gap, while compressive strain can induce a transition from semiconductor to metallic behavior. Optical property analysis indicates that both strain and electric field broaden the absorption spectrum, improving light absorption efficiency. These results offer valuable theoretical insights for the design of optoelectronic devices based on BlueP/PtSSe heterojunctions.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417389"},"PeriodicalIF":2.8,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089738","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":"Generalized-stacking-fault energy of sphalerite structure GaN: A first principles calculation","authors":"Shaorong Li ,&nbsp;Chuhan Cao ,&nbsp;Huaze Zhu ,&nbsp;You Xie ,&nbsp;Chengyue Wang ,&nbsp;Hao Wang ,&nbsp;Dongwei Qiao ,&nbsp;Chengfu Zhang ,&nbsp;Huan Wu ,&nbsp;Lin Zhang ,&nbsp;Shengqiang Ma","doi":"10.1016/j.physb.2025.417386","DOIUrl":"10.1016/j.physb.2025.417386","url":null,"abstract":"<div><div>As a third-generation semiconductor material, GaN has wide bandgap, strong atomic bonds, and other properties, so its research and application is currently the frontier and hot spot of global semiconductor research. In the process of preparing GaN, it is inevitably accompanied by a large number of crystal defects, and stacking fault is one of the surface defects. The energy absorbed or released during the generation of stacking fault is called the generalized-stacking-fault energy. In this work, using first-principles calculation, we systematically explored the generalized stacking fault energies and their variation with the slip distance when three different planes of sphalerite GaN slip in different directions. The results indicate that the (111) plane as a close-packed plane, its slippage is more likely to occur than the other two planes. On the (111) plane, the difficulty of slipping in the &lt;01 <span><math><mrow><mover><mn>1</mn><mo>‾</mo></mover></mrow></math></span> &gt; and &lt;<span><math><mrow><mover><mn>1</mn><mo>‾</mo></mover></mrow></math></span> 10&gt; directions is the same, and it is easier to slip than in the &lt;<span><math><mrow><mover><mn>2</mn><mo>‾</mo></mover></mrow></math></span> 11&gt; direction. On the (100) plane, it is easier to slip in the &lt;<span><math><mrow><mover><mn>1</mn><mo>‾</mo></mover></mrow></math></span> 01&gt; direction compared to the &lt;001&gt; and &lt;<span><math><mrow><mover><mn>1</mn><mo>‾</mo></mover></mrow></math></span> 00&gt; directions. On the (110) plane, the &lt;<span><math><mrow><mn>01</mn><mover><mn>1</mn><mo>‾</mo></mover></mrow></math></span> &gt; direction is the easiest to slip, and the &lt;11<span><math><mrow><mover><mn>1</mn><mo>‾</mo></mover></mrow></math></span> &gt; direction is the hardest to slip. &lt; <span><math><mrow><mover><mn>2</mn><mo>‾</mo></mover></mrow></math></span> 11&gt;(111) is easier to decompose than &lt;11 <span><math><mrow><mover><mn>1</mn><mo>‾</mo></mover></mrow></math></span> &gt;(110). The results can help to optimize the material properties and avoid formulating of stacking faults in the growth, processing, and heat treatment of GaN crystals.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"713 ","pages":"Article 417386"},"PeriodicalIF":2.8,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070734","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}