Solid State Communications最新文献

{"title":"Superconductivity in layered dichalcogenide Pt0.02TaSe2 single crystals","authors":"S.M.A. Radmanesh ,&nbsp;Reza Ghanbari ,&nbsp;A. Diaconu","doi":"10.1016/j.ssc.2025.116055","DOIUrl":"10.1016/j.ssc.2025.116055","url":null,"abstract":"<div><div>We report on the magneto-transport properties of the Pt-doped transition metal 2H-TaSe2 single crystals at temperatures down to 20 mK. The iodine vapor transport technique was employed to grow the desired size of single-crystal dichalcogenides Pt0.02TaSe2 samples. Then, scenarios behind the superconductivity were traced by extensive magneto-transport measurements performed in axial and angular field sweep modes. Temperature sweep revealed a peculiar metallic state at high-T accompanied by an incommensurate charge density wave (ICDW) state at ≈ 130K and a commensurate charge density wave (CCDW) state at ≈ 90K ending by superconductive transition at Tc 2.32K. Magneto-resistance features proved the competition between charge density wave and superconductivity manifested in negative and positive magneto-resistance for temperatures above and below Tc = 2.32K. Theories such as Bloch-Grüneisen and Ioffe-Regel seemed legit only to some extent by predicting the contribution of phonons in generating linear-T dependence of resistivity, because the unsaturated resistivity at high temperatures, like 450K debunks the limit of ρ2D = 725 μΩcm at T ≈ 395K. Also, the Hc2 field from the transport measurements revealed that the variations of the in-plane Hc2 field far outpace those of the out-of-plane Hc2. Moreover, a dramatically large Tc = 2.32K, almost 17 times Tc in undoped TaSe2 (0.14K), is obtained by intercalating Pt ions in TaSe2. We suggest this striking phenomenon is directly related to higher values of electron-phonon coupling and density of states N(EF) adjacent to the CDW quantum phase transition. Angular magnetoresistance successfully revealed the role of competing weak localization in nontrivial quantum features of this system.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116055"},"PeriodicalIF":2.1,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144490064","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}

{"title":"Bi, Cr and Ag dopants in PbTe and SnTe: Impact of the host band symmetry on doping properties by ab initio calculations","authors":"A. Łusakowski ,&nbsp;P. Bogusławski ,&nbsp;T. Story","doi":"10.1016/j.ssc.2025.116015","DOIUrl":"10.1016/j.ssc.2025.116015","url":null,"abstract":"<div><div>Doping properties of Bi, Cr and Ag dopants in thermoelectric and topological materials PbTe and SnTe are analyzed based on density functional theory calculations in the local density approximations and the large supercell method. In agreement with experiment, in both PbTe and SnTe, Bi is a donor and Ag is an acceptor with a vanishing magnetic moment. In contrast, Cr is a resonant donor in PbTe, and an resonant acceptor in SnTe. We also consider the electronic structure of cation vacancies in PbTe and SnTe, since these abundant native defects induce <span><math><mi>p</mi></math></span>-type conductivity in both hosts. The quantitatively different impact of these dopants/defects on the host band structure of PbTe and SnTe (level energies, band splittings, band inversion, and a different level of hybridization between dopant and host states) is explained based on the group-theoretical arguments.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116015"},"PeriodicalIF":2.1,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144366104","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}

{"title":"Insights into structural, dielectric, and magnetic properties of indium oxide composites","authors":"Zainab Bashir ,&nbsp;Zohra Nazir Kayani ,&nbsp;Hina Nazli ,&nbsp;Ayesha Akram ,&nbsp;Saira Riaz ,&nbsp;Shahzad Naseem","doi":"10.1016/j.ssc.2025.116048","DOIUrl":"10.1016/j.ssc.2025.116048","url":null,"abstract":"<div><div>Innovative oxide materials Indium oxide, indium gallium oxide, and indium gallium zinc oxide were deposited on indium tin oxide (ITO) by an electroplating method. SEM showed that grains became more prominent and uniformly dispersed in pure indium oxide film as compared with Indium gallium oxide film. The analysis of X-ray diffraction patterns confirmed the crystallite sizes of In₂O₃, IGO, and IGZO to be 12 nm, 32 nm, and 71 nm, respectively. The dielectric response showed that pure In₂O₃ had a higher dielectric constant 4.88 as compared to its composites (4.15 for IGO and 3.10 for IGZO). For composite films tan loss decreased to 0.005 and AC conductivity decreased to 1.763 × 10⁻⁵ S/cm. The Nyquist plot displayed one semicircle arc owing to high grain boundary resistance. MH loops were explored to determine magnetic characteristics. The reasonable magnetization value (16 emu/cm³) with a high Bohr magneton (1.565 <em>μ</em>_B) of IGZO suggested that synthesized composites had a variety of possible uses in electronics such as high-frequency or antenna applications, high-frequency transistors, sensors, and radio frequency identification (RFID) tags with low eddy current losses.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116048"},"PeriodicalIF":2.1,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144322495","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}

{"title":"Nd3+ concentration-induced orthorhombic to tetragonal transition in LaNdCuO4: Structural and physical properties from atomistic simulation compound","authors":"Joéslei L.O. Lucena,&nbsp;Carlos H.P. Silva,&nbsp;Otávio Melo Neto,&nbsp;Nilson S. Ferreira,&nbsp;Marcos V. dos S. Rezende","doi":"10.1016/j.ssc.2025.116052","DOIUrl":"10.1016/j.ssc.2025.116052","url":null,"abstract":"<div><div>The effect of Nd concentration at the La site on the structural and physical properties of LaNdCuO₄ was investigated by atomistic simulation. The results reveal that, when the Nd concentration increased, the structure changed from orthorhombic LaNdCuO₄ to a tetragonal configuration. It is observed that this substitution induces a variation of the chemical pressure within the unit cell. Interatomic distances are affected and then reflected in the lattice parameters. This structural transition leads to changes in physical properties such as elastic constants. The material becomes more ductile and more susceptible to elastic deformation, increasing its volume and decreasing its density. Our calculations indicate that this orthorhombic to tetragonal symmetry transition occurs at Nd concentrations above 23 %.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116052"},"PeriodicalIF":2.1,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144313675","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}

{"title":"Efficient hybrid machine learning model for inverse design of porous boron nitride with high thermal conductivity","authors":"Salman Khajeh ,&nbsp;Arian Mayelifartash ,&nbsp;Ahmad Ranjbar ,&nbsp;Mohammad Ali Abdol ,&nbsp;Sadegh Sadeghzadeh ,&nbsp;Gianaurelio Cuniberti ,&nbsp;Thomas D. Kühne ,&nbsp;Hadi Kaveh","doi":"10.1016/j.ssc.2025.116051","DOIUrl":"10.1016/j.ssc.2025.116051","url":null,"abstract":"<div><div>Two-dimensional porous boron nitride (BN) is widely used in electronics, catalysis, and membranes. Its thermal conductivity is influenced by hole density and distribution. This study uses molecular dynamics simulations with a hybrid machine learning approach to predict BN's thermal conductivity. The hybrid model, combining convolutional neural networks and multilayer perceptrons, achieves high accuracy (RMSE = 0.01, R² = 0.99). A novel inverse design method links hole distribution to enhanced conductivity, optimizing designs with just 1024 samples. These findings demonstrate the power of machine learning in advancing physical insights and solving complex design challenges efficiently.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116051"},"PeriodicalIF":2.1,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144490065","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}

{"title":"Structural, electronic, and elastic properties of tetragonal BaTiO3 under pressure: DFT study","authors":"Kanchana Sivalertporn ,&nbsp;Patchariyapa Suksong ,&nbsp;Piyawong Poopanya","doi":"10.1016/j.ssc.2025.116053","DOIUrl":"10.1016/j.ssc.2025.116053","url":null,"abstract":"<div><div>This study employs density functional theory to explore the structural, electronic, and elastic properties of tetragonal BaTiO₃ (BTO) under pressure. The calculated c/a and energy gap of 1.028 and 2.71 eV at 0 GPa, respectively, deviating by less than 5 % and 15.3 % from experimental values, validate the calculations. The research investigates the pressure-induced <em>P</em>4<em>mm</em> to <em>P</em>4/<em>mmm</em> phase transition at approximately 4.8 GPa, analyzing the electronic band structure with the mBJ technique and elastic property variations. Results indicate an indirect band gap (Γ to M) under tensile stress, decreasing with pressure in <em>P</em>4/<em>mmm</em>, while compressive stress shifts BTO to a direct band gap at Γ. Electron density differences highlight changes in charge distribution and bonding at the transition. Elastic moduli reveal a brittle-to-ductile shift near the phase transition, enhancing insights into pressure effects on BTO for technological optimization.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116053"},"PeriodicalIF":2.1,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144306570","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}

{"title":"Structural and optical properties of BaO-doped SiO2–B2O3–Al2O3–ZnO glasses for UV–vis applications","authors":"Dalal Abdullah Aloraini ,&nbsp;Aljawhara Almuqrin ,&nbsp;Badriah Albarzan ,&nbsp;E.A. Abdel Wahab ,&nbsp;Kh S. Shaaban","doi":"10.1016/j.ssc.2025.116050","DOIUrl":"10.1016/j.ssc.2025.116050","url":null,"abstract":"<div><div>The structural and optical properties of SiO₂–B₂O₃–Al₂O₃–BaO/ZnO glass systems were investigated, emphasizing the effects of BaO doping for potential optical applications. The partial substitution of ZnO with BaO resulted in a density increase from 3.374 to 4.087 g/cm³. Optical absorption measurements indicated that barium ions act as network modifiers, residing near Ba²⁺ ions within the glass matrix. This modification led to notable structural changes, evidenced by an increase in Urbach energy (Eu) from 0.32 for ZnBa-0, 0.34 for ZnBa-1.5, 0.37 for ZnBa-3, 0.39 for ZnBa-6, to 0.42 for ZnBa-12, suggesting an enhancement in structural disorder. Additionally, a systematic decrease in both indirect (<span><math><mrow><msubsup><mi>E</mi><mrow><mi>o</mi><mi>p</mi><mi>t</mi></mrow><mrow><mi>i</mi><mi>n</mi><mi>d</mi><mi>i</mi></mrow></msubsup></mrow></math></span>) and direct (<span><math><mrow><msubsup><mi>E</mi><mrow><mi>o</mi><mi>p</mi><mi>t</mi></mrow><mrow><mi>d</mi><mi>i</mi></mrow></msubsup></mrow></math></span>) optical band gap energies was observed with rising BaO content. The decrease of <span><math><mrow><msubsup><mi>E</mi><mrow><mi>o</mi><mi>p</mi><mi>t</mi></mrow><mrow><mi>i</mi><mi>n</mi><mi>d</mi><mi>i</mi></mrow></msubsup></mrow></math></span> from 2.68 for ZnBa-0 to 2.53 for ZnBa-1.5, to 2.43 for ZnBa-3, to 2.28 for ZnBa-6, and 2.13 for ZnBa-12, and <span><math><mrow><msubsup><mrow><mspace></mspace><mi>E</mi></mrow><mrow><mi>o</mi><mi>p</mi><mi>t</mi></mrow><mrow><mi>d</mi><mi>i</mi></mrow></msubsup></mrow></math></span> decrease from 3.03 for ZnBa-0 to 2.86 for ZnBa-1.5, to 2.68 for ZnBa-3, to 2.56 for ZnBa-6, and 2.42 for ZnBa-12. These findings confirm the direct relationship between structural modifications, increased disorder, and altered optical properties. The BaO-doped glasses synthesized in this work demonstrate potential as bandpass filters in the (UV–Vis) spectral region.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116050"},"PeriodicalIF":2.1,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297604","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}

{"title":"Effect of anisotropic parameters on some properties of the vHs superconductor in kagome materials","authors":"R. Thaninworapak ,&nbsp;P. Udomsamuthirun ,&nbsp;A. Changjan ,&nbsp;T. Kruaehong ,&nbsp;G. Chanilkul ,&nbsp;S. Meakniti","doi":"10.1016/j.ssc.2025.116039","DOIUrl":"10.1016/j.ssc.2025.116039","url":null,"abstract":"<div><div>In this work, we use the anisotropy energy gap and the van Hove singularity in the density of states to define various properties of multilayer kagome superconductors in the weak coupling limit. The multilayer characteristics of kagome superconductors can be represented using either the Haas and Maki anisotropic model (HM) or the Posazhennikova, Dahm, and Maki model (PDM). We found that the HM model is better suited for characterizing kagome superconductors than the PDM model. Following these calculations, the isotope effect exponent, gap-to-T_c ratio, and specific heat jump were investigated using equations and numerical data. The isotope exponent (0.12) and specific heat jump (0.88–1.33) are both lower than BCS predictions; however, the gap-to-T_c ratio (5.32–5.68) exceeds BCS expectations.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116039"},"PeriodicalIF":2.1,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297657","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}

{"title":"The new insight of superconductivity and supercapacitance applicability of Ni3Si: An ab initio exploration","authors":"Fatemeh Shirvani ,&nbsp;Aliasghar Shokri ,&nbsp;Maryam Masoudi","doi":"10.1016/j.ssc.2025.116023","DOIUrl":"10.1016/j.ssc.2025.116023","url":null,"abstract":"<div><div>In recent years, M<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>Si bulk materials have attracted considerable attention for their potential in energy storage technologies. This work focuses on exploring the superconducting and supercapacitance properties of Ni<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>Si using density functional theory with a generalized gradient approximation approach. The critical temperature of Ni<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>Si was determined to be 8.04 K, corresponding to a logarithmic average phonon frequency of 167.48 K. Analysis of the electronic density of states (DOS) revealed metallic characteristics, including a pronounced valley near the Fermi level, attributed to the limited contributions of the <span><math><mrow><mn>3</mn><mi>s</mi></mrow></math></span> and <span><math><mrow><mn>3</mn><mi>p</mi></mrow></math></span> orbitals of Si and the <span><math><mrow><mn>4</mn><mi>s</mi></mrow></math></span> orbital of Ni. Furthermore, the material demonstrated exceptional areal quantum capacitance, reaching a peak value of 1003.97 <span><math><mi>μ</mi></math></span>F/cm<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span> at -1 V. The <span><math><mrow><mn>3</mn><mi>d</mi></mrow></math></span> orbitals of Ni atoms were identified as the primary contributors, accounting for approximately 293.78 <span><math><mi>μ</mi></math></span>F/cm<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span> at the same voltage. These findings highlight Ni<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>Si as a promising candidate for both superconducting applications and as an electrode material in advanced supercapacitor devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116023"},"PeriodicalIF":2.1,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297603","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}

{"title":"Understanding and calculating the effects of uniaxial and hydrostatic pressure on the critical temperature of YBa2Cu3O7-δ (Y-123) superconductor within the framework of the Casimir energy scenario and the Kempf equation","authors":"Abdullo Ahadov ,&nbsp;Davron Dzhuraev","doi":"10.1016/j.ssc.2025.116047","DOIUrl":"10.1016/j.ssc.2025.116047","url":null,"abstract":"<div><div>Hydrostatic and uniaxial pressure affect the critical temperature of superconductivity differently in high-temperature superconductor samples, which is still not fully understood. In this paper, we investigate the changes in the critical temperature of the optimally doped <span><math><mrow><mi>Y</mi><msub><mtext>Ba</mtext><mn>2</mn></msub><msub><mtext>Cu</mtext><mn>3</mn></msub><msub><mi>O</mi><mrow><mn>7</mn><mo>−</mo><mi>δ</mi></mrow></msub></mrow></math></span> (Y-123) superconductor under hydrostatic and uniaxial pressure, and we analyze the reasons for the unusual uniaxial pressure effects on the critical temperature in this compound compared to other cuprate superconductors. Our analysis is based on the Casimir energy scenario approach. In this context, we utilize the uniaxial pressure derivatives of the critical temperature, <span><math><mrow><mi>d</mi><msub><mi>T</mi><mi>c</mi></msub><mo>/</mo><mi>d</mi><msub><mi>P</mi><mi>i</mi></msub><mspace></mspace><mrow><mo>(</mo><mrow><mi>i</mi><mo>=</mo><mi>a</mi><mo>,</mo><mi>b</mi><mo>,</mo><mi>c</mi></mrow><mo>)</mo></mrow></mrow></math></span>, derived from the Kempf equation. Our results indicate that pressure applied along different crystallographic axes alters the charge carrier density and effective mass within the CuO2 planes of the Y-123 superconductor differently. These changes, in turn, affect the sign and magnitude of <span><math><mrow><mi>d</mi><msub><mi>T</mi><mi>c</mi></msub><mo>/</mo><mi>d</mi><msub><mi>P</mi><mi>i</mi></msub></mrow></math></span> as predicted by our derived equations.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116047"},"PeriodicalIF":2.1,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144288887","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}