Pub Date : 2025-09-03DOI: 10.1007/s10948-025-07039-x
A. Jabar, N. Maaouni, S. Benyoussef, L. Bahmad
In this study, we investigate the structural, electronic, elastic, optical, thermoelectric, and thermodynamic properties of the EuCo2Bi2 compound using density functional theory (DFT) within the Wien2K software package. The generalized gradient approximation (GGA) is applied for exchange–correlation effects, while the Gibbs code is utilized for an in-depth thermodynamic analysis. Our results indicate that EuCo2Bi2 exhibits metallic behavior, as evidenced by electronic bands crossing the Fermi level. The elastic property evaluation confirms its ductile nature, highlighting mechanical stability. Thermodynamic analysis reveals a sharp increase in heat capacity at constant volume up to 400 K, followed by saturation near 120 J·K−1·mol−1. Optical investigations demonstrate strong absorption in the ultraviolet region, with a peak absorption coefficient at approximately 6.8 eV. Furthermore, thermoelectric analysis identifies EuCo2Bi2 as an n-type material with a high Seebeck coefficient and low electronic thermal conductivity. These findings suggest that EuCo2Bi2 holds promising potential for applications in thermoelectric devices, optoelectronics, and energy storage technologies.
{"title":"DFT-Based Investigation of EuCo2Bi2 for Thermoelectric and Optoelectronic Applications","authors":"A. Jabar, N. Maaouni, S. Benyoussef, L. Bahmad","doi":"10.1007/s10948-025-07039-x","DOIUrl":"10.1007/s10948-025-07039-x","url":null,"abstract":"<div><p>In this study, we investigate the structural, electronic, elastic, optical, thermoelectric, and thermodynamic properties of the EuCo<sub>2</sub>Bi<sub>2</sub> compound using density functional theory (DFT) within the Wien2K software package. The generalized gradient approximation (GGA) is applied for exchange–correlation effects, while the Gibbs code is utilized for an in-depth thermodynamic analysis. Our results indicate that EuCo<sub>2</sub>Bi<sub>2</sub> exhibits metallic behavior, as evidenced by electronic bands crossing the Fermi level. The elastic property evaluation confirms its ductile nature, highlighting mechanical stability. Thermodynamic analysis reveals a sharp increase in heat capacity at constant volume up to 400 K, followed by saturation near 120 J·K<sup>−1</sup>·mol<sup>−1</sup>. Optical investigations demonstrate strong absorption in the ultraviolet region, with a peak absorption coefficient at approximately 6.8 eV. Furthermore, thermoelectric analysis identifies EuCo<sub>2</sub>Bi<sub>2</sub> as an n-type material with a high Seebeck coefficient and low electronic thermal conductivity. These findings suggest that EuCo<sub>2</sub>Bi<sub>2</sub> holds promising potential for applications in thermoelectric devices, optoelectronics, and energy storage technologies.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144934511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Herein, we synthesised Sn-doped copper zinc (Cu–Zn) ferrite nanoparticles [Zn0.5Cu0.5SnxFe2-xO4 (ZCFO) with x = 0.1, 0.2, 0.3, 0.4, and 0.5] using green synthesis–assisted sol gel auto-combustion method where Phyllanthus emblica extract is used as a fuel. X-ray diffraction pattern showed the formation of cubic structure, and the crystallite size ranged from 44.1 nm to 37.7 nm. Rietveld Refinement pattern revealed the formation of cubic structure with the Fd3m space group. Field emission scanning electron microscopy (FESEM) revealed the development of grains in all samples. Raman spectra showed the presence of five Raman-active modes that also confirmed the cubic structure. Ultraviolet–visible spectroscopy (UV-Visible) analysis demonstrated an increase in bandgap from 2.37eV to 2.83eV with an increase in doping concentration. Vibrating-sample magnetometer (VSM) measurements showed ferrimagnetic behaviour in all samples, as evident by a squareness ratio (SQR) of around 0.04 and a coercivity (Hc) of nearly 25 Oe with highest value of saturation magnetisation (Ms) around 52.4 ± 0.5 emu/g. Frequency-dependent dielectric is studied in the range of 10–107 Hz. The highest value of real component of the dielectric constant (ε′) is found to be 91.1 at 132.50 Hz, and the value of ε″ is found to be 576.3 at 36.50 Hz and the dielectric loss tangent (tan δ) is 0.588. The variation of dielectric parameters with frequency showed the dominance of hopping mechanism in all samples.
{"title":"Tuning Structural, Optical, Magnetic, and Dielectric Properties of Green Synthesised Tin-Doped Zn-Cu Nanoferrites","authors":"Anu Singh, Nitika Choudhary, Ritesh Verma, Yassine Slimani, Preeti Thakur, Atul Thakur","doi":"10.1007/s10948-025-07033-3","DOIUrl":"10.1007/s10948-025-07033-3","url":null,"abstract":"<div><p>Herein, we synthesised Sn-doped copper zinc (Cu–Zn) ferrite nanoparticles [Zn<sub>0.5</sub>Cu<sub>0.5</sub>Sn<sub><i>x</i></sub>Fe<sub>2-<i>x</i></sub>O<sub>4</sub> (ZCFO) with <i>x</i> = 0.1, 0.2, 0.3, 0.4, and 0.5] using green synthesis–assisted sol gel auto-combustion method where <i>Phyllanthus emblica</i> extract is used as a fuel. X-ray diffraction pattern showed the formation of cubic structure, and the crystallite size ranged from 44.1 nm to 37.7 nm. Rietveld Refinement pattern revealed the formation of cubic structure with the <i>Fd3m</i> space group. Field emission scanning electron microscopy (FESEM) revealed the development of grains in all samples. Raman spectra showed the presence of five Raman-active modes that also confirmed the cubic structure. Ultraviolet–visible spectroscopy (UV-Visible) analysis demonstrated an increase in bandgap from 2.37eV to 2.83eV with an increase in doping concentration. Vibrating-sample magnetometer (VSM) measurements showed ferrimagnetic behaviour in all samples, as evident by a squareness ratio (SQR) of around 0.04 and a coercivity (<i>H</i><sub><i>c</i></sub>) of nearly 25 Oe with highest value of saturation magnetisation (<i>M</i><sub><i>s</i></sub>) around 52.4 ± 0.5 emu/g. Frequency-dependent dielectric is studied in the range of 10–10<sup>7</sup> Hz. The highest value of real component of the dielectric constant (<i>ε</i>′) is found to be 91.1 at 132.50 Hz, and the value of <i>ε</i>″ is found to be 576.3 at 36.50 Hz and the dielectric loss tangent (tan δ) is 0.588. The variation of dielectric parameters with frequency showed the dominance of hopping mechanism in all samples.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144923089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Structural, magnetic, and electrical transport properties of discontinuous metal–insulator multilayers [Fe/SiO2]10/Sub with dFe = 2–7 nm and dSiO2 = 3 nm under heat treatment up to 400 °C have been studied with the purpose of determining the possibilities of their practical application as a material for thermally stable magnetic devices or high-ohmic resistance for various electronic applications. The samples have granular structures with randomly distributed Fe nanoparticles, as shown by electron microscopy. The low (almost zero) and stable coercivity values under heat treatment indicate that the investigated systems could be used as a magnetic material for thermally stable magnetic devices. According to the results of the study of the temperature dependence of the magnetisation, there are no Fe atoms in the insulator matrix and very small particles of ferromagnetic material. It was demonstrated that the value of the blocking temperatures depends on the effective thickness of ferromagnetic layers. Even an insignificant increase of dFe from 5 to 7 nm leads to a significant growth of the blocking temperatures from 55 to 180 K. The structural changes can explain the blocking temperatures’ dependence on the Fe layer’s effective thickness and the annealing temperature.Experimental results demonstrate that the system [Fe(6)/SiO2(3)]10/Sub, annealed at a temperature of 300 °C, is characterised by the low temperature coefficients of resistance of − 35 ppm/°C and relatively high resistivity of 6⋅10−5 Ohm⋅m. The system [Fe(7)/SiO2(3)]10/Sub shows thermal stability after annealing up to 400 °C. Namely, in comparison with the as-deposited state, the temperature coefficients of resistance stay practically unchanged (250 ppm/°C), with an insignificant growth in resistivity value.
{"title":"Heat Treatment Effect on Magnetic and Electrical Transport Properties of [Fe/SiO2]n Discontinuous Multilayers","authors":"Oleksandr Pylypenko, Iryna Pazukha, Yurii Shkurdoda, Serhii Dolgov-Gordiichuk, Kostayntyn Tyschenko, Andrii Lohvynov, Maksym Lisnichuk, Vladimír Tkáč, Vitalii Latyshev, Serhii Vorobiov, Vladimír Komanický","doi":"10.1007/s10948-025-07037-z","DOIUrl":"10.1007/s10948-025-07037-z","url":null,"abstract":"<div><p>Structural, magnetic, and electrical transport properties of discontinuous metal–insulator multilayers [Fe/SiO<sub>2</sub>]<sub>10</sub>/Sub with <i>d</i><sub>Fe</sub> = 2–7 nm and <i>d</i><sub>SiO2</sub> = 3 nm under heat treatment up to 400 °C have been studied with the purpose of determining the possibilities of their practical application as a material for thermally stable magnetic devices or high-ohmic resistance for various electronic applications. The samples have granular structures with randomly distributed Fe nanoparticles, as shown by electron microscopy. The low (almost zero) and stable coercivity values under heat treatment indicate that the investigated systems could be used as a magnetic material for thermally stable magnetic devices. According to the results of the study of the temperature dependence of the magnetisation, there are no Fe atoms in the insulator matrix and very small particles of ferromagnetic material. It was demonstrated that the value of the blocking temperatures depends on the effective thickness of ferromagnetic layers. Even an insignificant increase of <i>d</i><sub>Fe</sub> from 5 to 7 nm leads to a significant growth of the blocking temperatures from 55 to 180 K. The structural changes can explain the blocking temperatures’ dependence on the Fe layer’s effective thickness and the annealing temperature.Experimental results demonstrate that the system [Fe(6)/SiO<sub>2</sub>(3)]<sub>10</sub>/Sub, annealed at a temperature of 300 °C, is characterised by the low temperature coefficients of resistance of − 35 ppm/°C and relatively high resistivity of 6⋅10<sup>−5</sup> Ohm⋅m. The system [Fe(7)/SiO<sub>2</sub>(3)]<sub>10</sub>/Sub shows thermal stability after annealing up to 400 °C. Namely, in comparison with the as-deposited state, the temperature coefficients of resistance stay practically unchanged (250 ppm/°C), with an insignificant growth in resistivity value.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144918652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-29DOI: 10.1007/s10948-025-07038-y
Qinlong Shen, Haiyang Dai, Tao Li, Jing Chen, Renzhong Xue, TingTing Zhang, Fufeng Yan
This research investigated the evolution of structure and vacancy defects caused by Nb ion substitution at the Mn site on the physical properties of gadolinium manganite (GdMnO3) materials synthesized via the solid-phase reaction method. XRD analysis confirmed the single-phase structure of the synthesized GdMn1-xNbxO3 ceramics and revealed lattice distortion resulting from the replacement of Mn3+ with Nb5+ ions. SEM results demonstrated a correlation between the grain size of the synthesized GdMn1-xNbxO3 ceramics and the vacancy concentration. XPS analysis indicated that Nb5+ substitution modified the oxidation state of Mn and influenced the concentration of oxygen vacancies; notably, the dominant charge compensation mechanism varied with different Nb substitution levels. Positron annihilation experimental results indicated that Nb5+ substitution could affect the open volume and concentration of vacancies in the Gd1-xNbxMnO3 system. Temperature and magnetic field dependent magnetization measurements showed that Nb5+ ion substitution enhanced the magnetization. The obtained results indicated that the properties of GdMnO3 system could be optimized by introducing vacancies and converting the Mn3+ to Mn2+.
{"title":"The Structure, Vacancies, and Magnetic Characteristics of GdMn1-xNbxO3 Ceramics","authors":"Qinlong Shen, Haiyang Dai, Tao Li, Jing Chen, Renzhong Xue, TingTing Zhang, Fufeng Yan","doi":"10.1007/s10948-025-07038-y","DOIUrl":"10.1007/s10948-025-07038-y","url":null,"abstract":"<div><p>This research investigated the evolution of structure and vacancy defects caused by Nb ion substitution at the Mn site on the physical properties of gadolinium manganite (GdMnO<sub>3</sub>) materials synthesized via the solid-phase reaction method. XRD analysis confirmed the single-phase structure of the synthesized GdMn<sub>1-<i>x</i></sub>Nb<sub><i>x</i></sub>O<sub>3</sub> ceramics and revealed lattice distortion resulting from the replacement of Mn<sup>3+</sup> with Nb<sup>5+</sup> ions. SEM results demonstrated a correlation between the grain size of the synthesized GdMn<sub>1-<i>x</i></sub>Nb<sub><i>x</i></sub>O<sub>3</sub> ceramics and the vacancy concentration. XPS analysis indicated that Nb<sup>5+</sup> substitution modified the oxidation state of Mn and influenced the concentration of oxygen vacancies; notably, the dominant charge compensation mechanism varied with different Nb substitution levels. Positron annihilation experimental results indicated that Nb<sup>5+</sup> substitution could affect the open volume and concentration of vacancies in the Gd<sub>1-<i>x</i></sub>Nb<sub><i>x</i></sub>MnO<sub>3</sub> system. Temperature and magnetic field dependent magnetization measurements showed that Nb<sup>5+</sup> ion substitution enhanced the magnetization. The obtained results indicated that the properties of GdMnO<sub>3</sub> system could be optimized by introducing vacancies and converting the Mn<sup>3+</sup> to Mn<sup>2+</sup>.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144918281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-26DOI: 10.1007/s10948-025-07036-0
Fernando Froes, Iris Braga Silva, João Vitor Lisboa Silva, Higor Natan Alves Ferreira, Cristina Bormio-Nunes
Addition of 0.5% Cr to the Fe65Co35 alloy resulted in an increase of hardness (215 HV to 296 HV), stiffness, and total magnetostriction from 23 × 10−6 to 65 × 10−6. This alloy exhibited also the highest relative magnetic permeability and lowest coercive field among all the alloys studied, reaching μr = 1020 in an applied field of only 360 A m−1 and Hc = 650 A m−1 (8.2 Oe). Consistent results among hardness, stiffness, EBSD, and magnetization as a function of temperature reasonably indicate that BCC ordering is present in the Fe65Co35 alloy and in the Cr added alloy; however, Cr + Ti added alloy would be single phased, either fully disordered or fully ordered. Magnetization thermal hysteresis (ΔM) occurs because of strong internal stress development due to Fe65Co35 and Cr-added alloy sample rapid cooling, ΔM being wider for Cr-added alloy. Results of hardness, stiffness, EBSD, and ΔM permitted the conclusion that in Cr-added alloy, internal stresses are stronger than in Fe65Co35 alloy.
{"title":"Influence of Ordering and Internal Stresses on the Saturation Magnetization and Magnetostriction of Fe65Co35 Alloy with Cr and Cr Plus Ti Additions","authors":"Fernando Froes, Iris Braga Silva, João Vitor Lisboa Silva, Higor Natan Alves Ferreira, Cristina Bormio-Nunes","doi":"10.1007/s10948-025-07036-0","DOIUrl":"10.1007/s10948-025-07036-0","url":null,"abstract":"<div><p>Addition of 0.5% Cr to the Fe<sub>65</sub>Co<sub>35</sub> alloy resulted in an increase of hardness (215 HV to 296 HV), stiffness, and total magnetostriction from 23 × 10<sup>−6</sup> to 65 × 10<sup>−6</sup>. This alloy exhibited also the highest relative magnetic permeability and lowest coercive field among all the alloys studied, reaching <i>μ</i><sub><i>r</i></sub> = 1020 in an applied field of only 360 A m<sup>−1</sup> and <i>H</i><sub><i>c</i></sub> = 650 A m<sup>−1</sup> (8.2 Oe). Consistent results among hardness, stiffness, EBSD, and magnetization as a function of temperature reasonably indicate that BCC ordering is present in the Fe<sub>65</sub>Co<sub>35</sub> alloy and in the Cr added alloy; however, Cr + Ti added alloy would be single phased, either fully disordered or fully ordered. Magnetization thermal hysteresis (ΔM) occurs because of strong internal stress development due to Fe<sub>65</sub>Co<sub>35</sub> and Cr-added alloy sample rapid cooling, Δ<i>M</i> being wider for Cr-added alloy. Results of hardness, stiffness, EBSD, and Δ<i>M</i> permitted the conclusion that in Cr-added alloy, internal stresses are stronger than in Fe<sub>65</sub>Co<sub>35</sub> alloy.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144905192","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-19DOI: 10.1007/s10948-025-07035-1
Xiang Wu, Linfei Liu, Yijie Li
This study systematically optimizes the epitaxial growth of CeO2 buffer layers on IBAD-MgO substrates via multi-channel multi-beam pulsed laser deposition (MC-MB-PLD) to enhance the performance of YBa2Cu3O7-δ (YBCO) coated conductors. Through parametric control of oxygen pressure (1–15 mTorr), target-substrate distance (30–60 mm), laser energy density (0.54–3.02 J/cm2), laser energy (250–325 mJ), and substrate temperature (750–900 °C), we determined that: A target-substrate distance of 45 mm (within the stable plasma zone) results in atomically smooth CeO₂ films with (002) orientation (RMS roughness: 0.8 nm). An optimal oxygen pressure of 10 mTorr combined with a laser energy of 300 mJ effectively eliminates a-axis grains and suppresses particulate defects. Substrate temperatures ≥ 850 °C achieve pure (002) orientation with in-plane and out-of-plane textures of 4.3° and 2.1°, respectively. YBCO films deposited on optimized CeO₂ buffers exhibit critical currents up to 91 A (Jc = 4.0 MA/cm2 at 77 K, 0 T). Also, this paper prepared an 830-m long Y1-xGdxBa2Cu3O7-δ (YGBCO) tape achieves uniform critical currents of 500 A (Jc = 3.85 MA/cm2) with ΔIc < 5%, demonstrating the feasibility of MC-MB-PLD for industrial-scale 2G-HTS production.
{"title":"Characterization and Performance Analysis of CeO₂ buffer Layer for YBCO Coated Conductors","authors":"Xiang Wu, Linfei Liu, Yijie Li","doi":"10.1007/s10948-025-07035-1","DOIUrl":"10.1007/s10948-025-07035-1","url":null,"abstract":"<div><p>This study systematically optimizes the epitaxial growth of CeO<sub>2</sub> buffer layers on IBAD-MgO substrates via multi-channel multi-beam pulsed laser deposition (MC-MB-PLD) to enhance the performance of YBa<sub>2</sub>Cu<sub>3</sub>O<sub>7-δ</sub> (YBCO) coated conductors. Through parametric control of oxygen pressure (1–15 mTorr), target-substrate distance (30–60 mm), laser energy density (0.54–3.02 J/cm<sup>2</sup>), laser energy (250–325 mJ), and substrate temperature (750–900 °C), we determined that: A target-substrate distance of 45 mm (within the stable plasma zone) results in atomically smooth CeO₂ films with (002) orientation (RMS roughness: 0.8 nm). An optimal oxygen pressure of 10 mTorr combined with a laser energy of 300 mJ effectively eliminates a-axis grains and suppresses particulate defects. Substrate temperatures ≥ 850 °C achieve pure (002) orientation with in-plane and out-of-plane textures of 4.3° and 2.1°, respectively. YBCO films deposited on optimized CeO₂ buffers exhibit critical currents up to 91 A (J<sub>c</sub> = 4.0 MA/cm<sup>2</sup> at 77 K, 0 T). Also, this paper prepared an 830-m long Y<sub>1-x</sub>Gd<sub>x</sub>Ba<sub>2</sub>Cu<sub>3</sub>O<sub>7-δ</sub> (YGBCO) tape achieves uniform critical currents of 500 A (J<sub>c</sub> = 3.85 MA/cm<sup>2</sup>) with ΔI<sub>c</sub> < 5%, demonstrating the feasibility of MC-MB-PLD for industrial-scale 2G-HTS production.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144869058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-18DOI: 10.1007/s10948-025-07031-5
Ahmed Draoui, Saad Boudabia
This study explores the structural, mechanical, vibrational, and superconducting properties of magnesium hexahydride (MgH₆) under high pressure using first-principles density functional theory (DFT) with the generalized gradient approximation (GGA-PBE). Phonon dispersion calculations, performed via density functional perturbation theory (DFPT), reveal that MgH₆ achieves dynamic stability above 295 GPa, as evidenced by the absence of imaginary frequencies in the vibrational spectrum. While imaginary modes persist at lower pressures (150–290 GPa), their localized nature ensures minimal impact on the overall electron–phonon coupling strength. The calculated elastic constants satisfy the Born-Huang criteria, confirming mechanical stability across the 150–400 GPa range. By solving the Migdal-Eliashberg equations with a Coulomb pseudopotential (μ* = 0.136), we predict a maximum superconducting critical temperature (({T}_{C})) of 238 K at 290 GPa. This peak ({T}_{C}) correlates with enhanced coupling from phonon softening near the stability threshold, underscoring the interplay between dynamic stability and superconductivity. Our results highlight MgH₆ as a promising high-temperature superconductor and provide insights into the stabilization mechanisms of hydrogen-rich compounds under extreme conditions.
{"title":"First-Principles Investigation of Stability and Superconductivity in Magnesium Hexahydride Under High Pressures","authors":"Ahmed Draoui, Saad Boudabia","doi":"10.1007/s10948-025-07031-5","DOIUrl":"10.1007/s10948-025-07031-5","url":null,"abstract":"<div><p>This study explores the structural, mechanical, vibrational, and superconducting properties of magnesium hexahydride (MgH₆) under high pressure using first-principles density functional theory (DFT) with the generalized gradient approximation (GGA-PBE). Phonon dispersion calculations, performed via density functional perturbation theory (DFPT), reveal that MgH₆ achieves dynamic stability above 295 GPa, as evidenced by the absence of imaginary frequencies in the vibrational spectrum. While imaginary modes persist at lower pressures (150–290 GPa), their localized nature ensures minimal impact on the overall electron–phonon coupling strength. The calculated elastic constants satisfy the Born-Huang criteria, confirming mechanical stability across the 150–400 GPa range. By solving the Migdal-Eliashberg equations with a Coulomb pseudopotential (<i>μ</i><sup><i>*</i></sup> = 0.136), we predict a maximum superconducting critical temperature (<span>({T}_{C})</span>) of 238 K at 290 GPa. This peak <span>({T}_{C})</span> correlates with enhanced coupling from phonon softening near the stability threshold, underscoring the interplay between dynamic stability and superconductivity. Our results highlight MgH₆ as a promising high-temperature superconductor and provide insights into the stabilization mechanisms of hydrogen-rich compounds under extreme conditions.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144868700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-08-13DOI: 10.1007/s10948-025-07034-2
S. Sidi Ahmed, S. Sidi Mohamed, M. Vall
Using Monte Carlo simulation (MCS), we study thermal and hysteresis behaviors of a mixed spin-1/2 and spin-3/2 ferromagnetic Ising model in the presence of crystal and external magnetic fields for a quasi-one dimensional system characterized by a lattice of length (textrm{L}) and width (textrm{L}') with (textrm{L}'ll textrm{L}). We show that the effect of the external field on the form of the susceptibility curve is related to the change of (textrm{L}). Our results reveal that this system exhibits a first- to second-order phase transition at reduced temperature (t=0.5). Critical exponents are also calculated and compared with those obtained in previous studies. The ground-state phase diagrams of the system are also reported at temperature (textrm{T}simeq 0).
利用蒙特卡罗模拟(Monte Carlo simulation, MCS)研究了在晶体和外磁场存在下,以晶格长度为(textrm{L}),晶格宽度为(textrm{L}')为(textrm{L}'ll textrm{L})为特征的准一维系统的混合自旋-1/2和自旋-3/2铁磁Ising模型的热滞特性。结果表明,外场对磁化率曲线形式的影响与(textrm{L})的变化有关。我们的结果表明,该体系在还原温度下表现出一阶到二阶的相变(t=0.5)。计算了临界指数,并与前人的研究结果进行了比较。系统的基态相图也被报道在温度(textrm{T}simeq 0)。
{"title":"Magnetic Behavior of Quasi-One-Dimensional Nanostructures in the Presence of the Crystal and External Magnetic Fields: Monte Carlo Study","authors":"S. Sidi Ahmed, S. Sidi Mohamed, M. Vall","doi":"10.1007/s10948-025-07034-2","DOIUrl":"10.1007/s10948-025-07034-2","url":null,"abstract":"<div><p>Using Monte Carlo simulation (MCS), we study thermal and hysteresis behaviors of a mixed spin-1/2 and spin-3/2 ferromagnetic Ising model in the presence of crystal and external magnetic fields for a quasi-one dimensional system characterized by a lattice of length <span>(textrm{L})</span> and width <span>(textrm{L}')</span> with <span>(textrm{L}'ll textrm{L})</span>. We show that the effect of the external field on the form of the susceptibility curve is related to the change of <span>(textrm{L})</span>. Our results reveal that this system exhibits a first- to second-order phase transition at reduced temperature <span>(t=0.5)</span>. Critical exponents are also calculated and compared with those obtained in previous studies. The ground-state phase diagrams of the system are also reported at temperature <span>(textrm{T}simeq 0)</span>.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 4","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
We utilized 3D-MLSI (three-dimensional magnetic low-temperature superconducting interference) simulations to investigate the inductance and effective areas of slit-shape SQUIDs, directly coupled magnetometers, as well as one- and two-level coupled magnetometers. For slit-shape SQUIDs, the impact of five parameters, slit length, slit width, linewidth, film thickness, and London penetration depth, on the inductance was systematically evaluated. In the case of directly coupled magnetometers, with the outer side length of the pickup loop fixed at 10 mm, we explored the effect of varying the inner side length on the effective area. For both one- and two-level coupled magnetometers, flux transformers with square and circular input coils were designed, corresponding to square and circular apertures in the SQUID chip. The influence of the inner side length or inner diameter of the SQUID chip and the input coil on the inductance, mutual inductance, coupling coefficient, and effective area was analyzed. The results indicate that under the optimal parameter configuration, the directly coupled magnetometers achieved a maximum effective area of 0.35 mm(^2), one-level coupled magnetometers reached 4.5 mm(^{2}), and the two-level coupled magnetometers achieved 0.88 mm(^{2}). These findings provide valuable information on the design and optimization of magnetometers, with the goal of enhancing their effective areas and sensitivity to magnetic fields.
利用3D-MLSI(三维磁性低温超导干涉)模拟研究了狭缝形状squid、直接耦合磁强计以及一级和二级耦合磁强计的电感和有效面积。对于狭缝形状的squid,系统地评估了狭缝长度、狭缝宽度、线宽、薄膜厚度和伦敦穿透深度五个参数对电感的影响。在直接耦合磁力计的情况下,将拾取环的外侧长度固定为10 mm,我们探索了改变内侧长度对有效面积的影响。针对单电平耦合磁强计和双电平耦合磁强计,分别设计了方形和圆形输入线圈的磁通互感器,分别对应SQUID芯片的方形和圆形孔径。分析了SQUID芯片与输入线圈的内径或内径对电感、互感、耦合系数和有效面积的影响。结果表明:在最优参数配置下,直接耦合磁强计最大有效面积为0.35 mm (^2),一级耦合磁强计最大有效面积为4.5 mm (^{2}),二级耦合磁强计最大有效面积为0.88 mm (^{2})。这些发现为磁强计的设计和优化提供了有价值的信息,目的是提高磁强计的有效面积和对磁场的灵敏度。
{"title":"Inductance Simulation and Design Optimization of High-Temperature Superconducting Magnetometers Based on 3D-MLSI","authors":"Xiaoliang Wang, Wenzhi Zhang, Yicong Huang, Wenqian Liu, Shangqing Li, Chaoyun Zhang, Enhua Chen, Songling Xiao, Shuo Xiang, Tuo Zhang, Jianxin Lin","doi":"10.1007/s10948-025-07032-4","DOIUrl":"10.1007/s10948-025-07032-4","url":null,"abstract":"<div><p>We utilized 3D-MLSI (three-dimensional magnetic low-temperature superconducting interference) simulations to investigate the inductance and effective areas of slit-shape SQUIDs, directly coupled magnetometers, as well as one- and two-level coupled magnetometers. For slit-shape SQUIDs, the impact of five parameters, slit length, slit width, linewidth, film thickness, and London penetration depth, on the inductance was systematically evaluated. In the case of directly coupled magnetometers, with the outer side length of the pickup loop fixed at 10 mm, we explored the effect of varying the inner side length on the effective area. For both one- and two-level coupled magnetometers, flux transformers with square and circular input coils were designed, corresponding to square and circular apertures in the SQUID chip. The influence of the inner side length or inner diameter of the SQUID chip and the input coil on the inductance, mutual inductance, coupling coefficient, and effective area was analyzed. The results indicate that under the optimal parameter configuration, the directly coupled magnetometers achieved a maximum effective area of 0.35 mm<span>(^2)</span>, one-level coupled magnetometers reached 4.5 mm<span>(^{2})</span>, and the two-level coupled magnetometers achieved 0.88 mm<span>(^{2})</span>. These findings provide valuable information on the design and optimization of magnetometers, with the goal of enhancing their effective areas and sensitivity to magnetic fields.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 4","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145163095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}
Pub Date : 2025-07-31DOI: 10.1007/s10948-025-07029-z
V. Sandu, L. Craciun, I. Ivan, A. M. Badea, R. Chidthong, F. Mihai, G. V. Aldica
In this study we present the effect of the irradiation of sintered MgB2 with protons of intermediate energies, from 8.6 to 15.07 MeV, at a constant fluence of 2.86 × 1016 p/cm2. We found clear evidence that the disorder generated by irradiation leads to a weak suppression of the critical temperature Tc and an increase of the critical current density Jc with increasing proton energy, as expected. However, it was found that thermomagnetic instabilities and vortex creep phenomena strongly depend on the ratio between proton range and the sample thickness. The number of the macroscopic flux jumps (MFJ) is highest and manifest up to 28 K in the sample with the proton range shorter than sample thickness (P1) and decrease as the proton energy increases. Similarly, the relaxation rate of the irreversible magnetization is the lowest in the sample P1 and increases with proton energy. We tentatively attribute this effect to the protons that stop within MgB2 and interact with the local structure/atomic composition.
{"title":"Effect of Proton Energy on the Superconducting Properties of MgB2 Submitted to Proton Beams at a Constant Fluence","authors":"V. Sandu, L. Craciun, I. Ivan, A. M. Badea, R. Chidthong, F. Mihai, G. V. Aldica","doi":"10.1007/s10948-025-07029-z","DOIUrl":"10.1007/s10948-025-07029-z","url":null,"abstract":"<div><p>In this study we present the effect of the irradiation of sintered MgB<sub>2</sub> with protons of intermediate energies, from 8.6 to 15.07 MeV, at a constant fluence of 2.86 × 10<sup>16</sup> p/cm<sup>2</sup>. We found clear evidence that the disorder generated by irradiation leads to a weak suppression of the critical temperature <i>T</i><sub>c</sub> and an increase of the critical current density <i>J</i><sub>c</sub> with increasing proton energy, as expected. However, it was found that thermomagnetic instabilities and vortex creep phenomena strongly depend on the ratio between proton range and the sample thickness. The number of the macroscopic flux jumps (MFJ) is highest and manifest up to 28 K in the sample with the proton range shorter than sample thickness (P<sub>1</sub>) and decrease as the proton energy increases. Similarly, the relaxation rate of the irreversible magnetization is the lowest in the sample P<sub>1</sub> and increases with proton energy. We tentatively attribute this effect to the protons that stop within MgB<sub>2</sub> and interact with the local structure/atomic composition.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 4","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145171224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}