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Theoretical investigation of electronic structure and thermoelectric properties of AlGa point defects in two-dimensional β-Ga2O3 二维β-Ga2O3中AlGa点缺陷的电子结构和热电性能的理论研究
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-14 DOI: 10.1016/j.rinp.2025.108424
Junjie Guo, Chunyan Song, Hui Liao, Jiaming Qi, Ningxuan Yang, Rui Wang, Jiuming Wang, Boyang Huang, Zihan Huang
{"title":"Theoretical investigation of electronic structure and thermoelectric properties of AlGa point defects in two-dimensional β-Ga2O3","authors":"Junjie Guo,&nbsp;Chunyan Song,&nbsp;Hui Liao,&nbsp;Jiaming Qi,&nbsp;Ningxuan Yang,&nbsp;Rui Wang,&nbsp;Jiuming Wang,&nbsp;Boyang Huang,&nbsp;Zihan Huang","doi":"10.1016/j.rinp.2025.108424","DOIUrl":"10.1016/j.rinp.2025.108424","url":null,"abstract":"<div><div>As a wide-bandgap semiconductor, β-Ga<sub>2</sub>O<sub>3</sub> possesses excellent physical and chemical properties, such as ultra-low lattice thermal conductivity for thermoelectric applications. We investigated the electronic structure and thermoelectric properties of two-dimensional (2D) β-Ga<sub>2</sub>O<sub>3</sub> with Al substitutions at four sites (surface/inner tetrahedral Ga(I) and octahedral Ga(II)) using density-functional theory (DFT) and Boltzmann transport theory. It was found that: (1) Compared to intrinsic 2D β-Ga<sub>2</sub>O<sub>3</sub>, the bandgap of surface tetrahedral Al-doped 2D β-Ga<sub>2</sub>O<sub>3</sub> (I-2D) is reduced by 0.035 eV, and the density of states (DOS) for four distinct Al<sub>Ga</sub> point defects in 2D β-Ga<sub>2</sub>O<sub>3</sub> indicates that Al(p) orbitals contribute mainly to the valence band maximum (VBM). (2) 2D β-Ga<sub>2</sub>O<sub>3</sub> with Al<sub>Ga</sub> enhances n-type Seebeck coefficients. Especially, I-2D achieves the maximum power factor of 2.70 × 10<sup>10</sup> W/(m·K<sup>2</sup>·s) of power factor for n-type near 0.8 eV (300 K), which is higher than the intrinsic value of 1.36 × 10<sup>10</sup> W/(m·K<sup>2</sup>·s). (3) For n-type, Ⅰ-2D β-Ga<sub>2</sub>O<sub>3</sub>, the electrical conductivity is 4.66 × 10<sup>18</sup>/(Ω·m·s), at 1.0 eV and the electronic thermal conductivity (κ<sub>e</sub>) is 1.9 × 10<sup>13</sup> W/(m·K) near 0.8 eV at 300 K. The Lorenz numbers for the five 2D β-Ga<sub>2</sub>O<sub>3</sub> structures all conform to the Lorenz distribution, indicating that the calculation results of thermal conductivity and electrical conductivity are accurate and reliable. (4) Type I-2D β-Ga<sub>2</sub>O<sub>3</sub> achieves a peak n-type ZT<sub>e</sub> of 1.79 at 900 K (vs. 0.96 for intrinsic). The results demonstrate that Al doping in 2D β-Ga<sub>2</sub>O<sub>3</sub> optimizes thermoelectric properties for applications.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108424"},"PeriodicalIF":4.6,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145107547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Europium decorated magnetic nanoparticles design for identification of latent fingerprints on different surfaces applications 铕装饰磁性纳米颗粒设计用于识别不同表面上的潜在指纹应用
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-12 DOI: 10.1016/j.rinp.2025.108426
Israel Montoya Matos , Sonia Andia Huaracha , Lizbet León Félix , David Pacheco Salazar , Raquel Checca Huaman , Juan Carlos Yacono Llanos
{"title":"Europium decorated magnetic nanoparticles design for identification of latent fingerprints on different surfaces applications","authors":"Israel Montoya Matos ,&nbsp;Sonia Andia Huaracha ,&nbsp;Lizbet León Félix ,&nbsp;David Pacheco Salazar ,&nbsp;Raquel Checca Huaman ,&nbsp;Juan Carlos Yacono Llanos","doi":"10.1016/j.rinp.2025.108426","DOIUrl":"10.1016/j.rinp.2025.108426","url":null,"abstract":"<div><div>The use of multifunctional nanomaterials with magnetic and luminescent properties has gained significant attention in forensic applications for latent fingerprint identification. In this study, we present a synthesis route for preparing chitosan-coated magnetite nanoparticles (MN-CH) by the coprecipitation method and functionalized with europium ions (MN-CH-Eu). These luminescent magnetic nanoparticles hold potential for the identification of latent fingerprints on different surfaces, including metal, plastic, and glass. Remarkably, structural analysis of MN-CH-Eu confirmed the retention of the magnetite crystalline structure through X-ray diffraction. Scanning electron microscopy and EDS mapping provided evidence of europium presence and its homogeneous distribution on the MN-CH surface. The interactions between chitosan and the nanoparticle core were mainly via electrostatic and hydrogen bonding, as confirmed by Fourier-transform infrared spectroscopy. Importantly, the europium-functionalized nanoparticles exhibited characteristic red photoluminescence, dominated by the hypersensitive <sup>5</sup>D<sub>0</sub> → <sup>7</sup>F<sub>2</sub> transition (∼612 nm), when excited under UV light. This emission was preserved due to the spatial isolation of Eu<sup>3+</sup> within the chitosan matrix, which minimized quenching effects from the Fe<sub>3</sub>O<sub>4</sub> core. After 24 h at room temperature, developed fingerprints appeared brown under natural light and bright green or reddish under UV illumination, depending on the excitation wavelength (notably 254 nm and 324 nm). The MN-CH-Eu nanoparticles were particularly effective on metal surfaces under both lighting conditions. These findings highlight the successful integration of luminescent and magnetic functionalities within a single nanomaterial, enhancing latent fingerprint detection through both physical adherence and optical contrast, and broadening the scope for forensic applications across various substrates and environmental conditions.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108426"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145107546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Vavilov-Cherenkov radiation and catastrophe theory 瓦维洛夫-切伦科夫辐射和突变理论
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-12 DOI: 10.1016/j.rinp.2025.108427
L. Krupa
{"title":"Vavilov-Cherenkov radiation and catastrophe theory","authors":"L. Krupa","doi":"10.1016/j.rinp.2025.108427","DOIUrl":"10.1016/j.rinp.2025.108427","url":null,"abstract":"<div><div>The problem of the Vavilov-Cherenkov radiation arising at an arbitrary motion of a charged particle in a transparent isotropic medium is studied. The generalised Tamm-Frank condition for the appearance of radiation is derived. Using the catastrophe theory, the existence of a new type of radiation, the cuspoid Vavilov-Cherenkov radiation, is predicted, which is more intense than the ordinary Vavilov-Cherenkov radiation. The condition for the appearance of this new radiation is derived. The realisation of fold catastrophe A<sub>2</sub> and boundary catastrophe B<sub>2</sub> in electromagnetic radiation have been studied in more detail in the case of the rectilinear motion of a charged particle.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108427"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145110045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Polarization state control in the focal region of a binary polarized and phase-delayed zone plate 二元偏振相位延迟带片焦区的偏振状态控制
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-12 DOI: 10.1016/j.rinp.2025.108399
Hector A. Trejo-Mandujano, Elsa G. Ordóñez-Casanova, Abdiel Ramírez-Reyes, Betania Sánchez-Santamaría
{"title":"Polarization state control in the focal region of a binary polarized and phase-delayed zone plate","authors":"Hector A. Trejo-Mandujano,&nbsp;Elsa G. Ordóñez-Casanova,&nbsp;Abdiel Ramírez-Reyes,&nbsp;Betania Sánchez-Santamaría","doi":"10.1016/j.rinp.2025.108399","DOIUrl":"10.1016/j.rinp.2025.108399","url":null,"abstract":"<div><div>This paper presents a device for controlling optical fields using conic binary zone plates. These plates consist of two orthogonal polarizers integrated with a phase retardation plate. When illuminated with linearly polarized light, and by varying the phase shift between the orthogonal components, the polarization state at the focal region can be dynamically modified. This method enables precise control of optical properties, with potential applications in areas such as optical communications. The effectiveness of the proposed device is demonstrated through computational simulations, which illustrate how the optical field behavior changes under different operating conditions.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108399"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145107889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Conversion of Zernike polynomial coefficients to wave aberration power series coefficients 泽尼克多项式系数到波像差幂级数系数的转换
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-10 DOI: 10.1016/j.rinp.2025.108430
Zichao Fan , Shili Wei
{"title":"Conversion of Zernike polynomial coefficients to wave aberration power series coefficients","authors":"Zichao Fan ,&nbsp;Shili Wei","doi":"10.1016/j.rinp.2025.108430","DOIUrl":"10.1016/j.rinp.2025.108430","url":null,"abstract":"<div><div>As fundamental tools in optical engineering, H. Hopkins’ wave aberration function and Zernike polynomials have respectively dominated optical design and wavefront characterization for decades. While the former underpins modern aberration analysis, the latter has become indispensable in optical testing, precision alignment, and quantitative phase evaluation at exit pupils. With the increasing complexity of contemporary optical systems requiring multidisciplinary integration, advanced simulations demand concurrent consideration of wave optical effects and geometric aberration theory, which necessitates establishing explicit connections between these two pivotal mathematical frameworks over circular apertures. Leveraging the field-dependent characteristics of Zernike polynomials, we achieve term-wise correspondence between the two polynomial systems. This approach enables rigorous derivation of an explicit transformation matrix connecting the mathematical formulations. Numerical implementations validate the proposed methodology while revealing critical insights into aberration decomposition mechanisms. The established framework provides theoretical guidance for optimizing complex optical systems, where wavefront manipulation and aberration control require coordinated treatment.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108430"},"PeriodicalIF":4.6,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145061373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Ferroelectric order and nonlinear optical response in Hexagonal-HoMnO3 hexonal - homno3的铁电有序和非线性光学响应
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-09 DOI: 10.1016/j.rinp.2025.108422
E. Martínez-Aguilar , H’Linh Hmok , Rigoberto López-Juárez
{"title":"Ferroelectric order and nonlinear optical response in Hexagonal-HoMnO3","authors":"E. Martínez-Aguilar ,&nbsp;H’Linh Hmok ,&nbsp;Rigoberto López-Juárez","doi":"10.1016/j.rinp.2025.108422","DOIUrl":"10.1016/j.rinp.2025.108422","url":null,"abstract":"<div><div>In this work, first-principles calculations have been performed, to elucidate the electronic, structural, optical, and ferroelectric properties of <em>h</em>-HoMnO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, making emphasis on its polar and shift current response. The results confirm a spontaneous polarization along the <em>c</em>-axis driven by the hybridization of the Mn-O orbitals, and the concomitant shift of the Ho ion in the same direction. Shift current calculations reveal a significant anisotropic response with a stronger current generation along the polar axis, demonstrating a direct correlation between ferroelectricity and nonlinear optical effects. These results position the <em>h</em>-HoMnO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> as a promising candidate for optoelectronic and energy harvesting applications without conventional <span><math><mi>p</mi></math></span>-<span><math><mi>n</mi></math></span> junctions.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108422"},"PeriodicalIF":4.6,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Experimental and theoretical radiative parameters of some odd-parity levels in Tb III Tbⅲ中某些奇宇称能级的实验和理论辐射参数
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-09 DOI: 10.1016/j.rinp.2025.108428
Hongfeng Zheng , Yu Wang , Huifang Li , Qingsen Xu , Shujun Chen , Zhuoyang He , Zhonghai Zhai , Zhenwen Dai
{"title":"Experimental and theoretical radiative parameters of some odd-parity levels in Tb III","authors":"Hongfeng Zheng ,&nbsp;Yu Wang ,&nbsp;Huifang Li ,&nbsp;Qingsen Xu ,&nbsp;Shujun Chen ,&nbsp;Zhuoyang He ,&nbsp;Zhonghai Zhai ,&nbsp;Zhenwen Dai","doi":"10.1016/j.rinp.2025.108428","DOIUrl":"10.1016/j.rinp.2025.108428","url":null,"abstract":"<div><div>Natural radiative lifetimes of 19 odd-parity levels of Tb III in the energy range between 52,039 and 62,734 cm<sup>−1</sup> were measured by the time-resolved laser-induced fluorescence method. To our knowledge, the lifetimes for 16 out of 19 levels were measured for the first time. The pseudo-relativistic Hartree-Fock method was used to calculate the lifetimes and branching fractions (BFs) of the investigated energy levels. Combining the measured lifetimes with the theoretical BFs, the semiempirical transition probabilities and oscillator strengths for 245 lines were determined, 58 lines of which were determined for the first time.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108428"},"PeriodicalIF":4.6,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Optoelectronic, magnetic, EFG and NMR properties of olivine-type LiMPO4 (M = Fe, Mn, Co, Mg) cathodes for application in lithium-ion battery by DFT 用DFT研究了锂离子电池用橄榄石型LiMPO4 (M = Fe, Mn, Co, Mg)阴极的光电、磁、EFG和NMR性能
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-08 DOI: 10.1016/j.rinp.2025.108425
H. Vahidi , H.A. Rahnamaye Aliabad , Evren Görkem Özdemir
{"title":"Optoelectronic, magnetic, EFG and NMR properties of olivine-type LiMPO4 (M = Fe, Mn, Co, Mg) cathodes for application in lithium-ion battery by DFT","authors":"H. Vahidi ,&nbsp;H.A. Rahnamaye Aliabad ,&nbsp;Evren Görkem Özdemir","doi":"10.1016/j.rinp.2025.108425","DOIUrl":"10.1016/j.rinp.2025.108425","url":null,"abstract":"<div><div>In this study, we present a comprehensive first-principles investigation into the structural, electronic, optical, magnetic, and hyperfine properties of olivine-type LiMPO<sub>4</sub> compounds (M =Co, Fe, Mg, Mn), using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). All compounds crystallize in the orthorhombic Pnma space group, with structural parameters exhibiting systematic variation according to the ionic radius of the M−site cation. Electronic band structure analysis reveals insulating behavior in LiFePO<sub>4</sub> and LiMgPO<sub>4</sub> with wide band gap, while LiCoPO<sub>4</sub> and LiMnPO<sub>4</sub> are identified as wide-bandgap semiconductors, owing to transition metal 3d–O 2p hybridization. Optical studies demonstrate pronounced anisotropy in dielectric response and absorption spectra, with LiMgPO<sub>4</sub> exhibiting the highest absorption threshold. Spin-polarized calculations unveil high-spin magnetic configurations in transition-metal-based compounds, with total cell magnetic moments. Furthermore, hyperfine interaction analysis, including electric field gradients and magnetic shielding tensors, and highlights significant anisotropy effects, particularly for Fe2<sup>+</sup> and Mn2<sup>+</sup> centers. The quadrupole coupling constants (C<sub>Q</sub>) and asymmetry parameters (η) provide insights into local symmetry breaking and electron density distribution around metal centers. This integrated computational approach underscores the tunability of LiMPO<sub>4</sub> compounds for next-generation lithium-ion battery cathodes and multifunctional materials with optoelectronic and magnetic properties.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108425"},"PeriodicalIF":4.6,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Temporal magnetized ferrite slabs for nonreciprocal wave propagation and arbitrary Faraday rotations 非倒易波传播和任意法拉第旋转的时间磁化铁氧体板
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-05 DOI: 10.1016/j.rinp.2025.108421
Seyed Ali Yazdani, Abbas Ghasempour Ardakani
{"title":"Temporal magnetized ferrite slabs for nonreciprocal wave propagation and arbitrary Faraday rotations","authors":"Seyed Ali Yazdani,&nbsp;Abbas Ghasempour Ardakani","doi":"10.1016/j.rinp.2025.108421","DOIUrl":"10.1016/j.rinp.2025.108421","url":null,"abstract":"<div><div>Nonreciprocity plays a crucial role in the realization of optical diodes, isolators, and circulators. Conventional nonreciprocal devices are typically fabricated using magneto-optical materials, which require strong external magnetic fields and patterned structures. Recently, nonreciprocity and Faraday polarization rotation have been demonstrated in a temporal magnetized plasma slab by abruptly changing its material parameters. In this paper, we develop a transfer matrix method to analyze the propagation of electromagnetic waves through a multilayer temporal structure composed of successive magnetized ferrite slabs. In the proposed structure, the spatially homogeneous medium abruptly transitions from free space to a magnetized ferrite and then back to free space after a defined time interval. By introducing a figure of merit, we determine the optimal values for the external magnetic field strength and the temporal thickness of the slab such that the structure functions as a 45° Faraday rotator. Furthermore, nonreciprocity in polarization conversion is demonstrated for this temporal structure. This confirms the potential of the proposed temporal structure to realize a Faraday isolator in the radio frequency region without the need for strong magnetic fields, spatial boundaries, patterned structures, or electromagnetic field confinement within an optical cavity. Additionally, we show that arbitrary polarization rotation of a linearly polarized incident wave can be achieved by appropriately selecting the external magnetic field and temporal width of the ferrite slab. Our results suggest that temporal structures based on ferrite materials hold promise for applications in wave engineering and the design of nonreciprocal devices.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"77 ","pages":"Article 108421"},"PeriodicalIF":4.6,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 Wang–Landau study of the frustrated J1-J2 Ising model on the honeycomb lattice: Phase diagrams and residual entropy 蜂窝晶格上受挫J1-J2 Ising模型的Wang-Landau研究:相图和剩余熵
IF 4.6 2区 物理与天体物理
Results in Physics Pub Date : 2025-09-01 DOI: 10.1016/j.rinp.2025.108412
Mouhcine Azhari , Hoseung Jang , Unjong Yu
{"title":"The Wang–Landau study of the frustrated J1-J2 Ising model on the honeycomb lattice: Phase diagrams and residual entropy","authors":"Mouhcine Azhari ,&nbsp;Hoseung Jang ,&nbsp;Unjong Yu","doi":"10.1016/j.rinp.2025.108412","DOIUrl":"10.1016/j.rinp.2025.108412","url":null,"abstract":"<div><div>We investigate the full phase diagram of the frustrated <span><math><msub><mrow><mi>J</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>-<span><math><msub><mrow><mi>J</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> Ising model on the two-dimensional honeycomb lattice, incorporating both nearest-neighbor interaction <span><math><msub><mrow><mi>J</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span> and next-nearest-neighbor interaction <span><math><msub><mrow><mi>J</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> using the Wang–Landau Monte Carlo method combined with finite-size scaling analysis. We map out the zero- and finite-temperature phase diagrams as a function of <span><math><mrow><msub><mrow><mi>J</mi></mrow><mrow><mn>2</mn></mrow></msub><mo>/</mo><msub><mrow><mi>J</mi></mrow><mrow><mn>1</mn></mrow></msub></mrow></math></span>. From the entropy profile, we identify four distinct ground-state structures — ferromagnetic, antiferromagnetic, dimer, and stripe states — and confirm that the residual entropy scales linearly with the lattice’s linear dimension in the stripe and dimer ground states. Our results suggest that the transition from the paramagnetic phase into the dimer or stripe phase changes its nature from first-order to continuous while the transition into the ferromagnetic or antiferromagnetic phase is continuous and belongs to the two-dimensional Ising universality class.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"76 ","pages":"Article 108412"},"PeriodicalIF":4.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144931955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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