Physica B-condensed Matter最新文献

{"title":"Exploring the influence of Bi-substitution in La2NiMnO6: Structural distortion, spin-glass, and magnetodielectric effect","authors":"Debasmita Bala ,&nbsp;Venimadhav Adyam ,&nbsp;H.D. Yang ,&nbsp;D Chandrasekhar Kakarla ,&nbsp;Krishnamurthy Jyothinagaram","doi":"10.1016/j.physb.2025.417470","DOIUrl":"10.1016/j.physb.2025.417470","url":null,"abstract":"<div><div>Bi-substituted La_1.5Bi_0.5NiMnO₆ polycrystals were synthesized using sol-gel method to investigate the structural and magnetic frustration. XRD data refinement confirmed a phase co-existence of disordered rhombohedral and ordered monoclinic structures, indicative of enhanced structural distortion. It exhibits site disorder and a second-order magnetic phase transition at <em>T</em>_C ∼181 K, along with low-temperature glassy behaviour, driven by the mixed valence states of Ni^2+/3+ and Mn^4+/3+. Bi doping leads to a reduction in <em>T</em>_C and magnetization due to the anti-site disorder. Magnetic memory and AC susceptibility studies confirm the spin-glass and cluster-glass dynamics at freezing temperatures of <em>T</em>_f1 ∼115 K and <em>T</em>_f2 ∼33 K, respectively. Temperature dependent electrical resistivity governs the variable-range hopping mechanism and exhibits negative magnetoresistance. Frequency-dependent dielectric studies reveal a magnetodielectric response of 8 % near <em>T</em>_C. Systematic study of <em>H</em>-dependent impedance and resistivity divulged that a dominant extrinsic contribution from the Maxwell-Wagner coupled with magnetoresistance property contributes to magnetodielectric effect.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417470"},"PeriodicalIF":2.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144221392","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":"Role of native point defects on the electronic properties of β-Cu2Se by DFT+U analysis","authors":"Hassan Ahmoum ,&nbsp;Guojian Li ,&nbsp;Mohd Sukor Su'ait ,&nbsp;Zohra Lemkhente ,&nbsp;Qiang Wang ,&nbsp;Youssef Mir","doi":"10.1016/j.physb.2025.417468","DOIUrl":"10.1016/j.physb.2025.417468","url":null,"abstract":"<div><div>This study investigates the structural, electronic, and thermoelectric properties of Cu₂Se, focusing on the effects of point defects and Hubbard corrections. Using density functional theory (DFT) with the PBE functional and DFT + U corrections, we analyze lattice parameters and the electronic band structure. The pristine Cu₂Se shows metallic behavior under PBE, with no band gap and a lattice parameter deviating from experimental values. Hubbard corrections to Cu and Se atoms resolve these discrepancies, reproducing the experimental lattice parameter (5.76 Å) and band gap (1.3 eV). The study highlights the role of Cu d-electrons in lattice expansion and Se p-electrons in band gap formation. Point defects, such as Cu vacancies, enhance the Seebeck coefficient by reducing carrier concentration and shifting the Fermi level, offering a route to optimize thermoelectric performance. These findings demonstrate the importance of defect engineering and Hubbard parameter tuning in optimizing Cu₂Se for advanced applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417468"},"PeriodicalIF":2.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229898","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":"Structural, morphological and magnetic studies of cobalt-doped nickel ferrite-MWCNTs nanocomposites","authors":"Reenu,&nbsp;Ashok Kumar","doi":"10.1016/j.physb.2025.417459","DOIUrl":"10.1016/j.physb.2025.417459","url":null,"abstract":"<div><div>Cobalt-doped nickel ferrites with varying Cobalt ion concentrations (x = 0.0, 0.3, 0.5, 0.7 and 1.0) were synthesized via the chemical co-precipitation method to investigate the effect of cobalt doping on structural and magnetic properties of nickel ferrite. To further enhance the multifunctionality of the material, nanocomposites of Co_0.7Ni_0.3Fe₂O₄ were synthesized with different concentrations (5,10 and 15 %) of multi-walled carbon nanotubes (MWCNTs) using the ultrasonication method. This study aims to understand the combined influence of cobalt doping and CNT incorporation on the material's crystallite size, lattice structure, magnetic behavior, and electronic interactions. X-ray diffraction (XRD) confirmed the formation of a single-phase cubic spinel ferrite, with increasing Co²⁺ content leading to a larger crystallite size. The incorporation of MWCNTs caused a slight shift to higher diffraction angles, indicating a decrease in lattice constant. High-resolution transmission electron microscopy (HRTEM) revealed the spherical morphology of ferrite nanoparticles and the uniform dispersion of MWCNTs. Saturation magnetization was calculated using the Law of Approach to saturation (LAS) method and it increased with cobalt composition up to x = 0.7 (sample Co_0.7Ni_0.3Fe₂O₄), at M_S = 52.90 emu/g and decreased thereafter. Due to the non-magnetic nature of MWCNTs, M_S gradually decreases from 43.55 emu/g for NCM5 to 22.99 emu/g for NCM15. Electron paramagnetic resonance (EPR) spectra demonstrated broadening with increasing cobalt content, while CNT incorporation reduced the resonance field, indicating modified spin interactions. This study highlights the synergistic effects of cobalt doping and MWCNT incorporation in tuning the structural and magnetic properties of nickel ferrite. The findings provide valuable insights for optimizing ferrite–CNT nanocomposites for potential applications in energy storage, sensors, electromagnetic shielding and spintronic devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417459"},"PeriodicalIF":2.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144221391","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":"Density functional study of the structural, phonon, elastic and optical properties of hexagonal SnS2","authors":"Yi-Gao Wang ,&nbsp;Zhen Jiao ,&nbsp;Mi Zhong","doi":"10.1016/j.physb.2025.417462","DOIUrl":"10.1016/j.physb.2025.417462","url":null,"abstract":"<div><div>The mechanical, electronic, optical and lattice dynamic properties of SnS₂ were studied by first-principles calculations within the pressue range of 0–32 GPa. The phonon spectra and elastic constants confirm the stability of crystal structure for SnS₂. Additionally, the pressure dependence of key elastic properties—such as bulk modulus (B), shear modulus (S), Young's modulus, B/G ratio, and Poisson's ratio—was analyzed. The results indicate that SnS₂ exhibits lower hardness and enhanced ductility and plasticity at higher pressures. The vibrational characteristics were also investigated under hydrostatic conditions up to 32 GPa, with a focus on in-plane (shear) and out-of-plane (breathing) modes in the low-frequency region. The vibrational behavior of the constituent ions in these modes was further explored. Furthermore, the optical properties reveal that SnS₂ strongly absorbs both visible and ultraviolet light.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417462"},"PeriodicalIF":2.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204217","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":"Determination of electrical parameters of 3 % graphene-doped polyvinylalcohol (PVA) interfacial layered Au/n-Si (MPS) structure irradiated with various doses of beta (β) by using impedance measurements","authors":"Özlem Abay ,&nbsp;Esra Uyar ,&nbsp;Murat Ulusoy ,&nbsp;Şemsettin Altındal ,&nbsp;Sema Bilge Ocak ,&nbsp;Uğur Gökmen","doi":"10.1016/j.physb.2025.417469","DOIUrl":"10.1016/j.physb.2025.417469","url":null,"abstract":"&lt;div&gt;&lt;div&gt;In this study, Schottky barrier diodes (SBDs) incorporating a polymer interface layer composed of 0.03 graphene (Gr): polyvinyl alcohol (PVA) were fabricated. Then, the electrical characteristics of these structures were analyzed using capacitance-voltage (&lt;em&gt;C-V&lt;/em&gt;) and conductance-voltage (&lt;em&gt;G/ω-V&lt;/em&gt;) measurements at 1 MHz under varying beta radiation doses. The impact of radiation on their electrical characteristics was evaluated at room temperature as a function of dose. The experimental results revealed a progressive decrease in both capacitance and conductance of the Au/(0.03 Gr: PVA)/n-Si (MPS) structure with the increase in beta radiation dose. The &lt;em&gt;C-V&lt;/em&gt; curves exhibited a distinct peak in the voltage range between −0.8 V and 1.8 V under radiation exposure, which was attributed to the unique distribution of interfacial states (&lt;em&gt;N&lt;/em&gt;&lt;sub&gt;&lt;em&gt;ss&lt;/em&gt;&lt;/sub&gt;) within the polymer layer and the energy gap. Furthermore, the &lt;em&gt;C&lt;/em&gt;-&lt;em&gt;G/ω&lt;/em&gt;-&lt;em&gt;V&lt;/em&gt; characteristics indicated the structure's inductive behavior, which disappeared after exposure to a 10 kGy radiation dose. Analysis of the reverse-bias &lt;em&gt;C&lt;/em&gt;&lt;sup&gt;&lt;em&gt;−2&lt;/em&gt;&lt;/sup&gt;-&lt;em&gt;V&lt;/em&gt; plots before and after beta radiation demonstrated linearity over a broad voltage range, enabling the calculation of key parameters such as diffusion potential (&lt;em&gt;V&lt;/em&gt;&lt;sub&gt;&lt;em&gt;D&lt;/em&gt;&lt;/sub&gt;), donor concentration (&lt;em&gt;N&lt;/em&gt;&lt;sub&gt;&lt;em&gt;D&lt;/em&gt;&lt;/sub&gt;), depletion width (&lt;em&gt;W&lt;/em&gt;&lt;sub&gt;&lt;em&gt;D&lt;/em&gt;&lt;/sub&gt;), Fermi level (&lt;em&gt;E&lt;/em&gt;&lt;sub&gt;&lt;em&gt;F&lt;/em&gt;&lt;/sub&gt;), and barrier height (&lt;em&gt;Ф&lt;/em&gt;&lt;sub&gt;&lt;em&gt;B&lt;/em&gt;&lt;/sub&gt;). The MPS structure's interfacial state density (&lt;em&gt;N&lt;/em&gt;&lt;sub&gt;&lt;em&gt;ss&lt;/em&gt;&lt;/sub&gt;) before radiation (0 kGy) was determined using the high-low frequency capacitance difference method (&lt;em&gt;C&lt;/em&gt;&lt;sub&gt;&lt;em&gt;HF&lt;/em&gt;&lt;/sub&gt;&lt;em&gt;-C&lt;/em&gt;&lt;sub&gt;&lt;em&gt;LF&lt;/em&gt;&lt;/sub&gt;), and it was found to be on the order of ∼10&lt;sup&gt;13&lt;/sup&gt; eV&lt;sup&gt;−1&lt;/sup&gt;cm&lt;sup&gt;−3&lt;/sup&gt;, after exposure to a beta radiation dose of 22 kGy, the interfacial state density significantly decreased to ∼10&lt;sup&gt;10&lt;/sup&gt; eV&lt;sup&gt;−1&lt;/sup&gt;cm&lt;sup&gt;−3&lt;/sup&gt;, which was determined through capacitance difference analysis (&lt;em&gt;C&lt;/em&gt;&lt;sub&gt;&lt;em&gt;Before&lt;/em&gt;&lt;/sub&gt; &lt;em&gt;−C&lt;/em&gt;&lt;sub&gt;&lt;em&gt;After&lt;/em&gt;&lt;/sub&gt;). This notable reduction in &lt;em&gt;N&lt;/em&gt;&lt;sub&gt;&lt;em&gt;ss&lt;/em&gt;&lt;/sub&gt; was attributed to the passivation effect of the polymer interface layer (0.03 Gr: PVA). The series resistance (&lt;em&gt;R&lt;/em&gt;&lt;sub&gt;&lt;em&gt;s&lt;/em&gt;&lt;/sub&gt;) of the MPS structure, which was influenced by beta radiation, was evaluated using the admittance method. &lt;em&gt;R&lt;/em&gt;&lt;sub&gt;&lt;em&gt;s&lt;/em&gt;&lt;/sub&gt; had a more pronounced effect in the accumulation region, whereas &lt;em&gt;N&lt;/em&gt;&lt;sub&gt;&lt;em&gt;ss&lt;/em&gt;&lt;/sub&gt; was more significant in the depletion region. Despite the influence of beta radiation on the electrical properties, there were no substantial defects or structural distortions that could impair the performance of the Au/(0.03 Gr: PVA)/n-Si (MPS) structure. These findings suggest that Schottky barrier diodes with polymer interfac","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417469"},"PeriodicalIF":2.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144221394","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":"Scrutinizing the nonlinear optical rectification, second and third harmonic generation in GaAs quantum ring: Role of pressure, temperature, dimensions, Rashba and Dresselhaus spin-orbit couplings","authors":"Jing Li ,&nbsp;A. Naifar ,&nbsp;K. Hasanirokh","doi":"10.1016/j.physb.2025.417464","DOIUrl":"10.1016/j.physb.2025.417464","url":null,"abstract":"<div><div>Through this theoretical investigation, we highlighted the effects of internal (dimension, and Dresselhaus coupling) and external factors (Rashba coupling, pressure, and temperature) on the optical properties in a GaAs quantum ring (QR). We computed the subband energy levels and related wave functions by solving the 3D Schrödinger equation. We utilized analytical expressions for the nonlinear optical rectification (NOR), second harmonic generation (SHG), and third harmonic generation (THG) based on the compact density matrix approach by iterative method. Our numerical results have demonstrated that temperature, ring size, Rashba and Dresselhaus spin-orbit couplings (SOCs) alter the subband energies and subsequently tune the optical properties of the system. Therefore, these parameters play a pivotal function in the electronic and optical properties of the structure, making it a versatile system for quantum devices and optoelectronic applications. These numerical findings can be helpful in improving experimental studies of NOR, SHG, and THG processes in low-dimensional structures under pressure and temperature in the presence of SOCs. The ability to precisely control and engineer these parameters may enable the development of QR-based devices with enhanced performance.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417464"},"PeriodicalIF":2.8,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204213","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":"Adsorption properties of ZnO-modified MoTe2 monolayers on H2, CO2, C2H6 gases","authors":"Yufan Wu,&nbsp;Lingna Xu,&nbsp;Yingang Gui","doi":"10.1016/j.physb.2025.417463","DOIUrl":"10.1016/j.physb.2025.417463","url":null,"abstract":"<div><div>Through first-principles DFT calculations, this study investigated the adsorption properties of ZnO-modified MoTe₂ towards dissolved transformer insulating gases: H₂, CO₂, C₂H₆. The modified configuration of ZnO on MoTe₂ was optimized with binding energy of −2.180 eV, ensuring its structural stability of ZnO-MoTe₂ during gas adsorption. The results show that the modification of ZnO changes the energy band structure of the MoTe₂ monolayer, and the ZnO acts as an electron acceptor obtaining −0.452 <em>e</em> from the substrate. Compared with pristine MoTe₂ monolayers, ZnO-MoTe₂ material demonstrates shortened adsorption lengths and enhanced adsorption energies toward all target gases H₂, CO₂, C₂H₆. The deformation charge density, density of states, frontier molecular orbital analysis, and recovery time results show that ZnO-MoTe₂ system exhibits adsorption strength in the order C₂H₆&gt;CO₂&gt;H₂. This work provides theoretical foundations for developing ZnO-MoTe₂-based gas sensors with enhanced sensitivity, particularly for C₂H₆ detection, which can be a potential method for transformer condition monitoring.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417463"},"PeriodicalIF":2.8,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229896","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":"Tuning barrier height and enhancing electrical properties of MOS heterojunctions using Fe2O3 doped MoO3 nanocomposite interlayer on Ni/Cr/n-GaN for optoelectronic devices","authors":"Karri Aswini ,&nbsp;Chaitanya Kumar Kunapalli ,&nbsp;K. Munirathnam ,&nbsp;V. Manjunath ,&nbsp;Cuddapah Dhananjaya Rao ,&nbsp;Purusottam Reddy Bommireddy ,&nbsp;Si-Hyun Park ,&nbsp;Youngsuk Suh ,&nbsp;Yedluri Anil Kumar ,&nbsp;Ezhakudiyan Ravindran","doi":"10.1016/j.physb.2025.417422","DOIUrl":"10.1016/j.physb.2025.417422","url":null,"abstract":"<div><div>This study investigates the structural, chemical, and electrical properties of Ni/Cr/Fe₂O₃:MoO₃/n-GaN Metal-oxide-semiconductor (MOS) heterojunctions using multiple characterization techniques. Comprehensive characterization using XRD, XPS, SEM, AFM, and I-V measurements confirmed the successful deposition of Fe₂O₃:MoO₃ films on the n-GaN surface. XPS analysis confirmed the successful formation of the insulating layer and metal electrodes on GaN, with clear elemental peaks. Glancing XRD further validated the structural and compositional integrity of the materials. Surface morphology was examined using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). The results confirmed that the insulating layer and the metal electrodes have smooth and uniform surfaces. Electrical characterization revealed that the MOS heterojunction exhibited rectifying behavior with low leakage current as compared to the Ni/Cr/n-GaN Schottky diode (SD). The series resistance was evaluated for both the SD and MOS heterojunctions, with the latter displaying a higher Schottky barrier height (Φ_b), indicating the influence of the insulating layer. Higher barrier height (Φ_b) was obtained for the annealed MOS (0.90 eV) than the as-deposited MOS (0.80 eV) and SD (0.77 eV). The values of Φ_b, ideality factor (n), and R_s were determined using Cheung's, Z(V) - V_d, F(V)-V, and Ψ_S-V methods, yielding consistent results. The annealed MOS heterojunction shows the highest conductivity among SD and MOS heterojunction. I-V analysis evaluates the Φ_b, while photocurrent and dark current measurements confirm its superior photoconductive response. These findings highlight the potential of Fe₂O₃:MoO₃ nanocomposites and the significant influence of annealing temperature on GaN-based MOS heterojunction, reinforcing their suitability for optoelectronic applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417422"},"PeriodicalIF":2.8,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144190006","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":"Extremely large range regulation of thermal conductivity of penta-BCN by tensile strain","authors":"Heying Chu ,&nbsp;Pengsen Zhao ,&nbsp;Xiaotian Dong ,&nbsp;Jingchuan Zhang ,&nbsp;Zhaoxia Liu ,&nbsp;Hongzhou Zhang","doi":"10.1016/j.physb.2025.417460","DOIUrl":"10.1016/j.physb.2025.417460","url":null,"abstract":"<div><div>Two-dimensional pentagonal materials have emerged as a promising research frontier since the discovery of penta-graphene, owing to their distinctive structural configurations and tunable physical properties. In this work, we systematically investigate the strain-dependent thermal transport characteristics of penta-BCN monolayers through first-principles calculations combined with the Boltzmann transport equation. Remarkably, the thermal conductivity undergoes a dramatic three-order-of-magnitude reduction under 16 % uniaxial strain, decreasing from 166.5 W/mK (pristine) to 0.5 W/mK (<em>x</em> direction). In-depth analysis reveals that strain-induced bond elongation in B-C and N-C linkages significantly disrupts electron cloud symmetry, thereby enhancing structural anharmonicity. This amplified anharmonicity triggers a corresponding three-order-of-magnitude augmentation in phonon scattering rates and a comparable reduction in phonon relaxation time. The synergetic effects of these factors ultimately account for the observed exceptional suppression of thermal conductivity. These findings reveal the phonon-strain coupling mechanisms in pentagonal materials and provide critical insights for designing strain-tunable thermal devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417460"},"PeriodicalIF":2.8,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144253674","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":"On heat capacity of liquid mercury under pressure","authors":"Huaming Li ,&nbsp;Chaochao Bao ,&nbsp;Xiaojuan Wang ,&nbsp;Yanting Tian ,&nbsp;Lin Feng ,&nbsp;Ying Zhang ,&nbsp;Yongli Sun ,&nbsp;Mo Li","doi":"10.1016/j.physb.2025.417461","DOIUrl":"10.1016/j.physb.2025.417461","url":null,"abstract":"<div><div>This study investigates the heat capacity of liquid mercury under pressure using experimental data, a linear isothermal regularity equation of state, and a power law equation of state. A key finding is the identification of a new linear isothermal regularity. The derived density, isobaric thermal expansion coefficient, and isothermal bulk modulus from the linear isothermal regularity equation of state show excellent agreement with experimental data. Analytical expressions for isobaric (<span><math><mrow><msub><mi>C</mi><mrow><mi>p</mi><mi>m</mi></mrow></msub></mrow></math></span>) and isochoric (<span><math><mrow><msub><mi>C</mi><mrow><mi>v</mi><mi>m</mi></mrow></msub></mrow></math></span>) molar heat capacities reveal extreme values specifically, <span><math><mrow><msub><mi>C</mi><mrow><mi>v</mi><mi>m</mi></mrow></msub></mrow></math></span> shows a maximum at higher temperatures, while <span><math><mrow><msub><mi>C</mi><mrow><mi>p</mi><mi>m</mi></mrow></msub></mrow></math></span> exhibits both a minimum and a maximum within a narrow temperature range. These results highlight the complex thermodynamic behavior of liquid mercury and provide insights into heat capacity anomalies in liquid metals, emphasizing the need for further research into microscopic origins under high-pressure conditions.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417461"},"PeriodicalIF":2.8,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144185319","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}