Computational Condensed Matter最新文献

{"title":"Prediction of the mixing enthalpy by improving the MEAM potential function for Cu-based binary systems","authors":"Jiahao Li ,&nbsp;Yizhao Wang ,&nbsp;Li Zhu ,&nbsp;Hongwei Yang","doi":"10.1016/j.cocom.2025.e01115","DOIUrl":"10.1016/j.cocom.2025.e01115","url":null,"abstract":"<div><div>In this study, the melting points and standard formation enthalpies of pure metals (aluminum, iron, cobalt, nickel, copper, silver) are verified using the second-order nearest-neighbor modified embedding atom method (2NN-MEAM), confirming the physical rationality of their basic parameters. Regarding the “failure of solid-state parameters in the liquid state” problem existing in the existing Cu-X (X = Al, Fe, Co, Ni, Ag) system MEAM potential, an optimization strategy for potential parameters based on energy gradient analysis and liquid-state configuration sensitivity is proposed. By reconstructing the dynamic correlation mechanism between the multi-body interaction parameters and the local environmental response, the optimized potentials significantly improve the accuracy of the liquid state mixing enthalpy prediction. Moreover, by comparing with the experimental data, it is proved that the optimized MEAM potential significantly improves the accuracy of the mixed enthalpy prediction for the alloy systems.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01115"},"PeriodicalIF":3.9,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144896522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optical, mechanical, and transport properties of selenium-based argyrodites","authors":"Muhammad Ibrar ,&nbsp;Aijaz Rasool Chaudhry ,&nbsp;Khan Zeb Khan ,&nbsp;Fazal Dayan ,&nbsp;Shahab Ud Din ,&nbsp;Muhammad Awais Jehangir ,&nbsp;Abid Iqbal ,&nbsp;G. Murtaza","doi":"10.1016/j.cocom.2025.e01121","DOIUrl":"10.1016/j.cocom.2025.e01121","url":null,"abstract":"<div><div>The silver based halide argyrodites Ag₆PSe₅X (X = Cl, Br I) have been studied using the density functional theory (DFT). The materials under analysis predicted to have lattice constants of 11.25 Å, 11.25 Å, and 11.28 Å for Ag₆PSe₅Cl, Ag₆PSe₅Br, and Ag₆PSe₅I, respectively. The reported band gaps for Ag₆PSe₅X (X = Cl, Br, and I) compounds are in the visible region. To describe how light interacts with the materials, the optical characteristics of all three materials are reported for photon energies in the range 0 and 12 eV. The computed optical values reveal that the materials are appropriate concerning application in optical-electronic equipments operating in this spectral area owing to their semiconducting features and significant absorption peaks in the UV energy spectrum. The ductile behavior of the three materials is revealed by their mechanical characteristics. The Debye temperatures for Ag₆PSe₅Cl, Ag₆PSe₅Br, and Ag₆PSe₅I are 490.80 K, 332.65 K, and 104.27 K, respectively. Thermoelectric parameters of p-type semiconductors with a positive Seebeck coefficient and low thermal conductivity were, suggesting that these semiconductors possess the potential for usage in thermoelectric applications.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01121"},"PeriodicalIF":3.9,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144903853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles prediction of mechanical, electronic, optical, and thermoelectric properties of Th3P4 for advanced functional applications","authors":"Z. Fadil ,&nbsp;R. El Fdil ,&nbsp;Hussein Sabbah ,&nbsp;A. Jabar ,&nbsp;S. Benyoussef ,&nbsp;L. Bahmad ,&nbsp;Chaitany Jayprakash Raorane ,&nbsp;Seong Cheol Kim ,&nbsp;S. Saadaoui","doi":"10.1016/j.cocom.2025.e01117","DOIUrl":"10.1016/j.cocom.2025.e01117","url":null,"abstract":"<div><div>A detailed study of the fundamental principles of Th₃P₄ was carried out using DFT with GGA-PBE and mBJ potentials in order to evaluate its thermoelectric potential. The electronic band structure confirms a clear semiconductor nature with well-defined band gaps, allowing for efficient charge carrier transport. The material exhibits a high Seebeck coefficient of 210 μV/K at 300 K, indicating dominant p-type conduction and a strong thermoelectric response. Temperature-dependent analyses show an increase in electrical and thermal conductivities, which corresponds to the behavior of a p-type semiconductor. The dimensionless figure of merit (ZT) increases monotonically with temperature, reaching 0.74 at 600 K, demonstrating promising thermoelectric efficiency under high-temperature conditions. Additional calculations of the electronic specific heat and Pauli paramagnetic susceptibility confirm the thermal and electronic stability of the material. Overall, these results make Th₃P₄ a strong candidate for high-performance thermoelectric energy conversion systems operating at high temperatures.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01117"},"PeriodicalIF":3.9,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144893643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles study on the oxygen and tungsten coexistence effect at the Ni/Ni3Al interface in Ni-based alloys","authors":"Li Peng ,&nbsp;Shuang He ,&nbsp;Ye Liu ,&nbsp;Xu Chen ,&nbsp;Oleg I. Gorbatov ,&nbsp;Ping Peng","doi":"10.1016/j.cocom.2025.e01118","DOIUrl":"10.1016/j.cocom.2025.e01118","url":null,"abstract":"<div><div>A first-principles investigation on the effect of O-doping and W-addition as well as O-W coexistence effect on the Ni/Ni₃Al interface in Ni-based alloys is performed. The results reveal that O occupies octahedral interstitial sites while W substitutes for Ni or Al atoms at the Ni/Ni₃Al interface. O significantly reduces the interface cohesive strength, while W enhances the cohesion of the Ni/Ni₃Al interface. In the cases of O-W co-existence, O and W maintain their individual weakening and strengthening effects, in most cases, the weakening effect of O-doping is more pronounced. When O is located in the coherent (002)γ/γ′ layer, the fracture strength and toughness of the co-doping interface are even worse than when O doped alone. Furthermore, the influence of O-W co-doping on the interface appears insensitive to the atomic distance between O and W. Electronic structure analysis reveals that the embrittling effect of O originates from its local electron aggregation effect, while W results in a strengthening effect at close range and a slight weakening effect at longer distances in the interfacial region. The findings provide insights into the complex effects of multiple elements interactions and suggest a potential strategy for the design of Ni-based alloys.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01118"},"PeriodicalIF":3.9,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917048","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, electronic, optical, mechanical, and thermal properties of A3MCl3 (A = Mg, Ca; M = N, Bi) halide perovskites: A first-principles study","authors":"Aslam Hossain ,&nbsp;Hamad AlMohamadi ,&nbsp;Bing Wang ,&nbsp;Md. Akhtaruzzaman ,&nbsp;M.M. Uddin","doi":"10.1016/j.cocom.2025.e01116","DOIUrl":"10.1016/j.cocom.2025.e01116","url":null,"abstract":"<div><div>The study examines the structural, electronic, optical, mechanical and thermal properties of halide perovskites A₃MCl₃ (A = Mg, Ca; M = N, Bi) using Density Functional Theory (DFT). The structure was optimized using the Generalized Gradient Approximation – Perdew–Burke–Ernzerhof (GGA-PBE) method, while the electronic and optical properties were calculated using the HSE06 hybrid method. The electronic properties indicate that Mg₃NF₃ exhibits a wide band gap and behaves as an insulator, while Ca₃BiCl₃ and Mg₃BiCl₃ display semiconducting behavior. According to electronic band structure simulations, Mg₃NF₃ act as insulators, while Mg₃BiCl₃ and Ca₃BiCl₃ exhibits semiconductor behavior. Studies of optical properties demonstrate that compounds with Bi absorb strongly within the UV–visible range and reflect very little throughout the spectrum. The compounds show brittle behavior. Mg₃NF₃ being the stiffest and having the lowest level of anisotropy with wide band gap insulator. According to thermal analysis, Mg₃NF₃ melts at a high temperature and is a good thermal conductor, which showed promising for applied as heat sink materials. Mg₃BiCl₃ and Ca₃BiCl₃ compounds showed low thermal conductivity and are therefore suitable for use in thermal barrier coatings. The combined findings identify A₃MCl₃ compounds as promising candidates for multifunctional electronic, optoelectronic, photovoltaic, and thermal management devices.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01116"},"PeriodicalIF":3.9,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144997390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Material property prediction of perovskite oxides based on machine learning","authors":"Decui Chen ,&nbsp;Wei Guo ,&nbsp;Guoyan Wu ,&nbsp;Guangxin Chen ,&nbsp;Qi Chen ,&nbsp;Youjin Zheng ,&nbsp;Fangbiao Wang","doi":"10.1016/j.cocom.2025.e01112","DOIUrl":"10.1016/j.cocom.2025.e01112","url":null,"abstract":"<div><div>Perovskite oxides show great potential for applications in energy conversion and environmental protection due to their excellent catalytic properties and tunability. However, the process of screening stable perovskite oxides using traditional experimental and computational methods is time-consuming and laborious, limiting the development of their applications. This paper proposes a machine learning-based method for predicting the properties of perovskite oxide materials. Four machine learning models, random forest regression, gradient boosted regression, ridge regression, and support vector regression, were constructed using a dataset of ABO₃ perovskite compounds calculated by DFT by Antoine A. Emery and others, and the unit cell volume and tolerance factor were predicted. The results show that the random forest regression model achieved the best performance in predicting the unit cell volume and tolerance factor, with R² reaching 0.99932 and 0.99849, respectively, and MAE reaching 0.29832 and 0.0 0262. The model is explained based on the SHAP method, and it is found that the tolerance factor of perovskite oxides with A-site ion radii more significant than 1Å and B-site ion radii less than 0.8 Å is usually greater than 0.75, indicating that their crystal structures are relatively stable. The machine learning-based method for predicting the properties of perovskite oxide materials proposed in this paper can quickly screen out perovskite oxides with stable structures, providing meaningful theoretical guidance for accelerating research on efficient perovskite catalysts.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01112"},"PeriodicalIF":3.9,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144896523","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, electronic, piezoelectric, and optical properties of Janus MoSi2Z3X (Z/X = N, P, As) monolayers","authors":"Rui Huang ,&nbsp;Yanzong Wang ,&nbsp;Qinfang Zhang","doi":"10.1016/j.cocom.2025.e01109","DOIUrl":"10.1016/j.cocom.2025.e01109","url":null,"abstract":"<div><div>Janus structural engineering of two‐dimensional (2D) materials has emerged as a pivotal strategy for modulating their physicochemical properties. In this work, we designed new Janus MoSi₂Z₃X (Z/X = N, P, As) monolayers and systematically investigated their structural, electronic, carrier mobility, piezoelectric, and optical properties by first‐principles calculations. The results demonstrate that MoSi₂P₃N, MoSi₂P₃As, and MoSi₂As₃P monolayers exhibit robust dynamical, thermodynamic, and mechanical stability. The band structure reveals that MoSi₂P₃N (MoSi₂P₃As) is an indirect bandgap semiconductor with its valence band maximum (VBM) at the K (Γ) point and conduction band minimum (CBM) at the M (K) point, whereas MoSi₂As₃P is a direct bandgap semiconductor with both VBM and CBM located at the K point. Besides, biaxial strain engineering enables the phase transition from semiconductor-to-metal accompanied with an indirect‐to-direct bandgap transition in MoSi₂P₃N and a direct‐to-indirect transition in MoSi₂As₃P. Furthermore, these monolayers demonstrate anisotropic and high carrier mobility, especially the hole mobility of MoSi₂P₃N approaching 10³ cm² V⁻¹ s⁻¹. Specially, MoSi₂P₃N, MoSi₂P₃As, and MoSi₂As₃P monolayers exhibit excellent piezoelectric performance, especially, the piezoelectric strain coefficients <em>d</em>₁₁ and <em>d</em>₃₁ of MoSi₂P₃N are 6.61 and 0.12 pm/V, respectively. Furthermore, they display high optical absorption across both visible and ultraviolet spectral regions. These findings highlight the potential applications of Janus MoSi₂Z₃X monolayers in piezoelectric and photoelectric devices.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01109"},"PeriodicalIF":3.9,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144863260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anharmonic phonon scattering and strain-tunable thermal conductivity in AlGaAs2 DLHC monolayer","authors":"Victor José Ramirez Rivera ,&nbsp;Fredy Mamani Gonzalo ,&nbsp;José A.S. Laranjeira ,&nbsp;Nicolas F. Martins ,&nbsp;Gohnny Acero Laura ,&nbsp;A.Z. Simoes ,&nbsp;Julio R. Sambrano ,&nbsp;Maurício Jeomar Piotrowski ,&nbsp;Efracio Mamani Flores","doi":"10.1016/j.cocom.2025.e01108","DOIUrl":"10.1016/j.cocom.2025.e01108","url":null,"abstract":"<div><div>The emergence of double-layer honeycomb (DLHC) monolayers has broadened the design space of two-dimensional (2D) materials by enabling the stabilization of low-energy configurations of traditional III–V semiconductors. Among them, DLHC-AlGaAs<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> has recently attracted attention due to its predicted dynamic and thermodynamic stability, although its physical behavior under strain remains unexplored. In this study, a comprehensive first-principles investigation of the structural, electronic, and phonon transport properties of DLHC-AlGaAs<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> under biaxial strain was carried out. The results obtained reveal that strain profoundly influences phonon dynamics: tensile strain increases lattice anharmonicity, reflected in higher Grüneisen parameters and shorter phonon lifetimes, which in turn enhance phonon–phonon scattering. This leads to a notable reduction in lattice thermal conductivity (<span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>l</mi></mrow></msub></math></span>) from 3.72 to 3.05 Wm⁻¹K⁻¹ as the strain is varied from <span><math><mrow><mo>−</mo><mn>2</mn><mtext>%</mtext></mrow></math></span> to <span><math><mrow><mo>+</mo><mn>2</mn><mtext>%</mtext></mrow></math></span>. The thermal transport is primarily governed by acoustic phonons, whose group velocities and mean free paths exhibit strong strain dependence. Given its pronounced sensitivity to strain and the resulting tunability of its thermal transport behavior, DLHC-AlGaAs<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> emerges as a strong candidate for integration into 2D thermoelectric and nanoscale electronic systems where efficient heat management is essential.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01108"},"PeriodicalIF":3.9,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144858468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational extensive investigation of the structural, electronic, magnetic, mechanical, and optical properties of calcium-doped LaMnO3 via DFT+U","authors":"Haseen Ullah Jan ,&nbsp;Qaiser Rafiq ,&nbsp;Sikander Azam ,&nbsp;Afzal Khan ,&nbsp;Rajwali Khan","doi":"10.1016/j.cocom.2025.e01113","DOIUrl":"10.1016/j.cocom.2025.e01113","url":null,"abstract":"<div><div>Perovskite oxides, particularly lanthanum manganite (LaMnO₃), have garnered significant attention due to their exceptional electronic, magnetic, and optical properties, which make them highly promising for applications in spintronics, optoelectronics, and energy storage. In this study, we use density functional theory (DFT) with the generalized gradient approximation plus Hubbard U correction (GGA + U) to systematically investigate the structural, electronic, magnetic, optical, and mechanical properties of pristine LaMnO₃ and its calcium-doped variant (Ca-doped LaMnO₃). The Wien2k software package was employed for the calculations, incorporating a 4 eV Hubbard U parameter to account for the Mn-3d orbital electron-electron correlation strength. The simulation results show that pristine LaMnO₃ exhibits a well-defined bandgap in the spin-up channel, which confirms its insulating nature. However, the spin-down channel displays either a diminished or absent bandgap due to intense exchange interactions and Jahn-Teller distortions. The introduction of Ca dopants creates holes that reduce the bandgap, transforming the material from an insulating to a metallic state. The magnetic moments in pristine LaMnO₃ localize exclusively on manganese ions, generating a total spin magnetic moment of 7.99904, which confirms its strong antiferromagnetic ordering. After Ca doping, the total spin magnetic moment decreases to 3.00126, indicating a reduced magnetic strength and an increase in metallic properties. The introduction of Ca in LaMnO₃ results in significant modifications to the optical properties, including the dielectric function, absorption, reflectivity, and energy loss rates. The dielectric function analysis reveals that doping leads to a reduction of the bandgap and a shift toward metallic behavior, particularly in the spin-down channel. Further analysis of absorption and refractive index spectra demonstrates that Ca doping enhances material conductivity while diminishing its insulating properties. Additionally, the bulk modulus, shear modulus, and Young modulus decrease after Ca doping, making the material more prone to deformation.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01113"},"PeriodicalIF":3.9,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144863259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, anisotropic elasticity, and thermal properties of Ga2O3 polymorphs: A first-principles study","authors":"Jiaqi Ding ,&nbsp;Yan Liu ,&nbsp;Shengxiang Wang ,&nbsp;Xiaoming Huang ,&nbsp;Yuanhang Qu ,&nbsp;Xiang Chen ,&nbsp;Yao Cai ,&nbsp;Chengliang Sun ,&nbsp;Shishang Guo","doi":"10.1016/j.cocom.2025.e01110","DOIUrl":"10.1016/j.cocom.2025.e01110","url":null,"abstract":"<div><div>The anisotropic elastic and thermal properties of five different Ga₂O₃ polymorphs were examined through first-principles calculations grounded in density functional theory (DFT). All phases satisfy mechanical and dynamical stability criteria and exhibit ductile characteristics. Based on the derived elastic constants <em>C</em>_ij, the elastic moduli (<em>B</em>, <em>E</em>, <em>G</em> and <em>v</em>) and hardness parameters (<em>H</em>_V, <em>K</em>_IC and <em>M</em>_dt) for these polymorphs were computed. Anisotropy indices and three-dimensional surface plots of elastic moduli quantify directional stiffness variations, revealing the elastic anisotropy ranking γ &gt; β &gt; ε &gt; δ &gt; α. Acoustic properties derived from Debye temperature, Grüneisen parameter, and direction-dependent sound velocities construct a comprehensive anisotropic sound-velocity database. Lattice thermal conductivities predicted by Slack and Callaway models demonstrate that α- Ga₂O₃ attains the highest thermal conductivity at and above its Debye temperature, while β- Ga₂O₃ leads at lower temperatures. These findings furnish design guidelines for selecting optimal Ga₂O₃ polymorphs in high-temperature power electronics, surface-acoustic-wave devices, and thermal-management applications.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01110"},"PeriodicalIF":3.9,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144858466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}