Physica B-condensed Matter最新文献

{"title":"Modifications in the photoionization cross-section of a quantum dot with position-dependent effective mass","authors":"Carlos Magno O. Pereira ,&nbsp;Denise Assafrão ,&nbsp;Frankbelson dos S. Azevedo ,&nbsp;A.G. de Lima ,&nbsp;Cleverson Filgueiras ,&nbsp;Edilberto O. Silva","doi":"10.1016/j.physb.2025.417733","DOIUrl":"10.1016/j.physb.2025.417733","url":null,"abstract":"<div><div>In this work, we investigate the photoionization cross-section of an electron confined in a quantum dot, considering the position-dependent variation of the effective mass through the parameter <span><math><mi>γ</mi></math></span>. We used a theoretical model based on the Schrödinger equation, in which <span><math><mi>γ</mi></math></span> influences the energy levels and wave functions through an effective potential obtained from the harmonic oscillator potential, which, in the limit <span><math><mrow><mi>γ</mi><mo>=</mo><mn>0</mn></mrow></math></span>, reduces to the original harmonic oscillator potential. Furthermore, we compared the modifications in the photoionization cross-section of these quantum systems with the constant-mass case. Our results demonstrate that even a small variation in <span><math><mi>γ</mi></math></span> significantly impacts the photoionization process’s amplitude and peak position. We also found that for specific values of <span><math><mi>γ</mi></math></span>, an inversion occurs: The amplitude, which initially increases as the quantum dot absorbs the photon, begins to decrease. Additionally, we observed that the optical transitions involving the ground state restrict the admissible values of <span><math><mi>γ</mi></math></span> to negative values only. These results may have relevant implications for designing optoelectronic devices based on quantum dots with adjustable mass properties.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417733"},"PeriodicalIF":2.8,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144922567","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":"Nonlinear optical properties of a single donor dopant in multilayered quantum dots under an electric field","authors":"M. Jaouane ,&nbsp;R. Arraoui ,&nbsp;A. Fakkahi ,&nbsp;A. Ed-Dahmouny ,&nbsp;H. Azmi ,&nbsp;K. El-Bakkari ,&nbsp;J. El-Hamouchi ,&nbsp;A. Sali ,&nbsp;F. Ungan","doi":"10.1016/j.physb.2025.417701","DOIUrl":"10.1016/j.physb.2025.417701","url":null,"abstract":"<div><div>We investigate second harmonic generation (SHG) in a nanosystem of three wurtzite In<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>Ga<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>N quantum dots embedded in In<span><math><msub><mrow></mrow><mrow><mi>y</mi></mrow></msub></math></span>Ga<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>y</mi></mrow></msub></math></span>N and GaN matrices, under external electric fields along the growth axis and hydrostatic pressure. The influence of a single donor impurity positioned variably along the <span><math><mi>z</mi></math></span>-axis is also studied. Using fixed geometry (<span><math><mrow><msub><mrow><mi>R</mi></mrow><mrow><mi>d</mi></mrow></msub><mo>=</mo><mn>5</mn><mspace></mspace><mi>nm</mi></mrow></math></span>, <span><math><mrow><msub><mrow><mi>L</mi></mrow><mrow><mi>b</mi></mrow></msub><mo>=</mo><mn>2</mn><mspace></mspace><mi>nm</mi></mrow></math></span>, <span><math><mrow><msub><mrow><mi>L</mi></mrow><mrow><mi>d</mi></mrow></msub><mo>=</mo><mn>3</mn><mspace></mspace><mi>nm</mi></mrow></math></span>) and experimentally validated parameters, the analysis is carried out within the framework of the effective mass approximation, combined with the finite element method. We analyze the impact of dot size, barrier width, field strength, and pressure on SHG. Results show that optimizing barrier width enhances SHG by maximizing electron-hole wavefunction overlap. The donor impurity alters the effective potential, shifting resonance energies and SHG efficiency. Electric fields and pressure provide effective tuning of the nonlinear optical response. This work demonstrates the potential of such nanostructures for tunable frequency doubling, optical switching, and sensitive photonic devices in integrated optoelectronic and sensing applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417701"},"PeriodicalIF":2.8,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144922566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of O+-ion irradiation effects on the critical current density and vortex pinning properties of FeTe0.62Se0.38 single crystals","authors":"Shivam Kumar Miglani,&nbsp;G.D. Varma","doi":"10.1016/j.physb.2025.417755","DOIUrl":"10.1016/j.physb.2025.417755","url":null,"abstract":"<div><div>This study investigates the effects of O⁺-ion irradiation on the superconducting properties of FeTe_0.62Se_0.38 single crystals. Ion irradiation is an effective technique for inducing controlled defects and enhancing superconducting properties, including critical current density (J_C) and flux pinning. We studied the influence of O⁺ irradiation under different fluences in FeTe_0.62Se_0.38 single crystals. Structural analyses confirmed single crystal growth along the <em>c</em>-axis and identified irradiation-induced defects. Superconductivity was confirmed through temperature-dependent resistivity measurements of as-grown and O⁺-irradiated samples. Magnetic field dependent magnetization measurements revealed significant changes due to irradiation, particularly in J_C. Bean's critical state model was used to estimate J_C, showing that the self-field J_C at 2 K increased by a factor of four in the irradiated sample compared to the as-grown crystals. Similarly, an increase in pinning force density suggests that irradiation-induced defects serve as effective pinning centers. The Dew-Hughes model was applied to analyze vortex pinning mechanisms and the effects of irradiation on flux pinning.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417755"},"PeriodicalIF":2.8,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019132","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":"The effect of Cd1-xNixO nanoparticles on structural, thermal, linear/nonlinear optical characteristics of PVA nanocomposite films","authors":"Amani Alruwaili ,&nbsp;Mohammed O. Alziyadi ,&nbsp;Soraya Abdelhaleem ,&nbsp;Asma Alkabsh ,&nbsp;Basmat Amal M. Said ,&nbsp;M.S. Shalaby","doi":"10.1016/j.physb.2025.417734","DOIUrl":"10.1016/j.physb.2025.417734","url":null,"abstract":"<div><div>This investigation examines the structural, thermal, mechanical, and optical characteristics of PVA/Cd_1-xNi_xO nanocomposite films fabricated via casting evaporation. XRD analysis confirmed PVA's characteristic (101) peak at 19.5° and CdO nanoparticle formation, with increasing Ni content altering lattice parameters and yielding crystallite sizes of 11–15.5 nm. Thermal decomposition occurred between 270 and 370 °C, with differential thermogravimetric analysis indicating more pronounced effects at higher Ni doping levels. FTIR spectroscopy elucidated molecular interactions within the nanocomposite matrix. Mechanical testing demonstrated altered properties upon nanoparticle incorporation, with the PVA/Cd_0.99Ni_0.01O sample exhibiting the most significant changes. Scanning electron microscopy visualized nanoparticle distribution across the polymer surface. Optical characterization demonstrated Ni-induced red shifts in band gap energies, with direct/indirect optical gaps decreasing from 1.89/4.87 eV (PVA/Cd₀.₉₉Ni₀.₀₁O) to 0.914/4.66 eV (PVA/Cd₀.₇₀Ni₀.₃₀O). This comprehensive characterization provides crucial insights into the nanocomposites' potential for optoelectronic applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417734"},"PeriodicalIF":2.8,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144932066","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":"Ferroelectric influence upon magnetoresistance in Ag/Co/PVDF/Co spin valves","authors":"Pajjuru Ravi Teja,&nbsp;Jyotirmoy Roy,&nbsp;Bibilin Sharon A,&nbsp;R.B. Gangineni","doi":"10.1016/j.physb.2025.417753","DOIUrl":"10.1016/j.physb.2025.417753","url":null,"abstract":"<div><div>The influence of electric polarization orientation upon magnetoresistance (MR) in Co (140 nm)/PVDF (80 nm)/Co (90 nm) spin valve junctions is systematically investigated for two different device geometries. An enhancement in the device resistance and magnetoresistance is noted in the poled state in comparison to the unpoled state of the device, with a maximum electro-resistance (ER) of 71 %. The change in device resistance with different polarization states is attributed to the asymmetric electrostatic potentials due to the formation of the CoO dielectric layer at the PVDF/Co bottom interface. A significant increase in MR%, from 0.09 % to 0.8 % following the device poling, is attributed to enhanced molecular ordering and efficient spin transport in the PVDF spacer layer. Further, a maximum electro-magnetoresistance of −27 % is noted. These findings are discussed with respect to the role of ferroelectric ordering, its efficient spin injection at the interface and spin transport in the spacer layer.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417753"},"PeriodicalIF":2.8,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144932060","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":"Nd3+/Yb3+ doped BaY2F8 microparticles for ratiometric temperature sensing","authors":"E.I. Oleynikova ,&nbsp;R.M. Rakhmatullin ,&nbsp;R.D. Aglyamov ,&nbsp;A.K. Naumov ,&nbsp;M.S. Pudovkin","doi":"10.1016/j.physb.2025.417756","DOIUrl":"10.1016/j.physb.2025.417756","url":null,"abstract":"<div><div>We presented experimental results of the spectral-kinetic characterization of BaY₂F₈:Nd³⁺ (0.5 %)/Yb³⁺ (0.75, 1.0, and 4.0 at. %). Using the EPR spectroscopy it was found, that the presence of clustering of Yb³⁺ ions. The luminescence intensity ratio (LIR) of Nd³⁺ (⁴F_3/2 – ⁴I_9/2 transition) and Yb³⁺ (²F_5/2 – ²F_7/2 transition) were taken. The maximal S_r = 0.2 %·K⁻¹ was achieved for BaY₂F₈:Nd³⁺ (0.5 %)/Yb³⁺ (0.75 %) sample. We calculated the LIR of Nd³⁺ and Yb³⁺ Stark peaks. The maximum S_r value was 1.8 %·K⁻¹ at 80 K using BaY₂F₈:Nd³⁺ (0.5 %), Yb³⁺ (0.75 %) sample.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417756"},"PeriodicalIF":2.8,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144932067","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":"Effect of rare earth elements X(La,Nd,Y,Ce) doping on mechanical properties of WC/Fe interface and atomic modification of WC(100)-W/Fe3W3C(110) interface","authors":"Huiwen Wang ,&nbsp;Qinghong Li ,&nbsp;He Wei ,&nbsp;Fei Zhang ,&nbsp;Zulai Li ,&nbsp;Min Zha ,&nbsp;Wengao Zhang","doi":"10.1016/j.physb.2025.417727","DOIUrl":"10.1016/j.physb.2025.417727","url":null,"abstract":"<div><div>Based on first-principles calculations, the effects of doping rare earth elements (REEs), such as Ce, La, Pr, Nd, and Y, on the bonding strength, electronic structure, and mechanical properties of various metal/ceramic interfaces were systematically investigated. The findings indicate that REE doping significantly enhances interfacial bonding through segregation to the interface, reduces interfacial energy, and facilitates the formation of strong covalent or metallic bonds, thereby improving mechanical performance. Among the REEs studied, Pr, Ce, and Y exhibited the most pronounced strengthening effects, which were attributed to electron redistribution and bond optimization. An ideal WC/Fe composite interface was constructed using first-principles methods under a vacuum sintering process, and four rare earth elements (Nd, Ce, Y, and La) were doped into the interface to calculate the interface energy, formation energy, and dissolution energy, and to analyze the interfacial bonding strength. The results indicate that the interfacial energy of the doped systems decreases to varying degrees compared to that of the undoped interface. Analyses of differential charge density, density of states, and interfacial bond population reveal that doping with rare earth elements (Nd, La, Y, and Ce) enhances the interfacial bonding strength, with Y-doping exhibiting the lowest interfacial energy and the most stable configuration. Doping with rare earth elements reduces the elastic modulus of Fe₃W₃C, increases its anisotropy, brittleness, and hardness, enhances the matrix hardness near the WC/Fe binding zone, and decreases the hardness of the interfacial reaction zone. Nanoindentation experiments indicate that, under the same maximum load, the addition of single or dual REEs significantly reduces the displacement of the interfacial phase, decreases its plasticity, and increases its hardness.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417727"},"PeriodicalIF":2.8,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144932062","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":"Design and evaluation of TiO2-enhanced phosphate glasses for dual-functionality: Photonic applications and radiation safety","authors":"Josephine Thumma ,&nbsp;Ravi Kumar Guntu","doi":"10.1016/j.physb.2025.417735","DOIUrl":"10.1016/j.physb.2025.417735","url":null,"abstract":"&lt;div&gt;&lt;div&gt;A novel series of TiO&lt;sub&gt;2&lt;/sub&gt;-incorporated phosphate-based glasses with the general composition 60P&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;5&lt;/sub&gt; + 20B&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt; + 5Sb&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt; + (15–x)Li&lt;sub&gt;2&lt;/sub&gt;O + xTiO&lt;sub&gt;2&lt;/sub&gt; (where &lt;em&gt;x&lt;/em&gt; = 0.00–0.25 mol%) was successfully synthesized via the conventional melt-quenching technique. This study systematically explores the influence of progressive TiO&lt;sub&gt;2&lt;/sub&gt; substitution on the physical, structural, thermal, optical, luminescent, and gamma-ray shielding properties of the developed glasses. Among the investigated compositions, the LT-0.25 sample (containing 0.25 mol% TiO&lt;sub&gt;2&lt;/sub&gt;) consistently exhibited superior multifunctional performance. Physical property measurements revealed a gradual increase in density from 3.021 g/cm&lt;sup&gt;3&lt;/sup&gt; (LT-0.00) to 3.546 g/cm&lt;sup&gt;3&lt;/sup&gt; (LT-0.25), accompanied by a corresponding decrease in molar volume from 38.450 cm&lt;sup&gt;3&lt;/sup&gt;/mol to 32.828 cm&lt;sup&gt;3&lt;/sup&gt;/mol, indicating enhanced structural compactness and improved atomic packing. The number density (Nᵢ) rose to 0.9595 × 10&lt;sup&gt;21&lt;/sup&gt; cm&lt;sup&gt;−3&lt;/sup&gt;, while the structure factor (F&lt;sub&gt;s&lt;/sub&gt; = 5.992 × 10&lt;sup&gt;14&lt;/sup&gt;) and optical packing density (OPD = 81.9370) also increased, confirming the stiffening effect of heavier Ti&lt;sup&gt;4+&lt;/sup&gt; ions and the development of a more tightly bound glass network. X-ray diffraction (XRD) confirmed the amorphous nature of all compositions. Scanning electron microscopy (SEM) revealed a smooth, homogeneous surface morphology without signs of crystallization, while energy-dispersive X-ray spectroscopy (EDS) verified the uniform distribution of Ti&lt;sup&gt;4+&lt;/sup&gt; ions. FTIR analysis showed characteristic vibrational bands corresponding to phosphate (PO&lt;sub&gt;4&lt;/sub&gt;&lt;sup&gt;3−&lt;/sup&gt;), borate (BO&lt;sub&gt;3&lt;/sub&gt; and BO&lt;sub&gt;4&lt;/sub&gt;), and Ti–O linkages. With increasing TiO&lt;sub&gt;2&lt;/sub&gt; content, more pronounced Ti–O–P bending modes and TiO&lt;sub&gt;6&lt;/sub&gt; octahedral vibrations emerged, indicating progressive network polymerization. Raman spectroscopy supported this trend by highlighting intensified PO&lt;sub&gt;2&lt;/sub&gt;&lt;sup&gt;−&lt;/sup&gt; and P–O–P stretching vibrations, along with growing contributions from TiO&lt;sub&gt;4&lt;/sub&gt; units—collectively signifying enhanced network connectivity and rigidity. Differential thermal analysis (DTA) revealed an increase in glass transition temperature (Tg) from 370 °C (LT-0.00) to 398 °C (LT-0.25), along with an improvement in thermal stability (ΔT = Tc – Tg) from 90 °C to 98 °C. These enhancements are attributed to the formation of stronger Ti–O–P bonds, which reinforce the glass structure. Optical absorption studies indicated a decrease in optical band gap energy (E&lt;sub&gt;opt&lt;/sub&gt;) from 3.29 eV to 2.75 eV with TiO&lt;sub&gt;2&lt;/sub&gt; incorporation, while Urbach energy (ΔE) increased from 0.312 to 0.447 eV—suggesting greater structural disorder but also denser, more rigid network formation. Photoluminescence (PL) measurements exhibited broad visible emission ban","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417735"},"PeriodicalIF":2.8,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144925223","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":"An ultra-broadband solar absorber based on the biomimetic moth-eye-shaped titanium nitride nanostructures","authors":"Xinyao Liu ,&nbsp;Qihao Wang ,&nbsp;Jingyi Zhang ,&nbsp;Jinyong Hu","doi":"10.1016/j.physb.2025.417757","DOIUrl":"10.1016/j.physb.2025.417757","url":null,"abstract":"<div><div>Titanium nitride (TiN) has attracted considerable attention in solar energy applications due to its excellent optoelectronic properties. However, existing TiN-based absorbers often suffer from narrow absorption bandwidths and structural complexity. In this study, a biomimetic moth-eye solar absorber is proposed and its performance is evaluated with the finite-difference time-domain method. The absorber achieves over 95 % absorptance from 200 to 3200 nm, with an average of 97.41 % across 200–3400 nm, approaching nearly 100 % at certain wavelengths. It exhibits polarization independence and incident-angle insensitivity under AM 1.5 solar irradiation, with a solar spectrum absorptance of 97.52 %. Thermal emissivity reaches 94.05 % and 96.58 % at 1000 K and 2000 K, respectively. These features highlight its excellent broadband absorption and thermal radiation performance, demonstrating strong potential for applications in photovoltaic energy harvesting, solar thermal conversion, and infrared imaging.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417757"},"PeriodicalIF":2.8,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144925230","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":"Thermodynamic description of the Nd-Fe-Al system and formation mechanisms of Al-containing intergranular phases in Nd-Fe-B-based magnets","authors":"Yanqin Cao,&nbsp;Changrong Li,&nbsp;Cuiping Guo,&nbsp;Zhenmin Du","doi":"10.1016/j.physb.2025.417722","DOIUrl":"10.1016/j.physb.2025.417722","url":null,"abstract":"<div><div>The Al-doped Nd-Fe-B-based magnets exhibits superior magnetic performance and cost-effectiveness. However, the lack of thermodynamic description of the crucial Nd-Fe-Al ternary system hinders further improvement in coercivity. In this study, the reasonable thermodynamic database of the Nd-Fe-Al system, with which the calculated phase diagrams agree fairly well with those of the current literature and experimental data, has been developed. Besides, the formation mechanisms of various Al-containing intergranular phases in the Al-doped Nd-Fe-B-based magnets, such as the 6:13:1-type crystalline phase, Nd-rich and Fe-rich amorphous phases, have been analyzed. The 6:13:1-type phase is most likely formed from the Nd-rich liquids through the deep ternary eutectic reaction, L(Liquid) → Nd₆Fe_{13-<em>x</em>}Al_1+<em>x</em> + NdAl₃ + Nd, at 860 K. The Nd-rich amorphous phase directly forms from the under-cooled liquid with a high glass-forming ability. The Fe-rich amorphous phase forms from the under-cooled liquid during the gradual phase evolution toward the final 6:13:1-type crystalline phase.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"716 ","pages":"Article 417722"},"PeriodicalIF":2.8,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917832","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}