{"title":"Magnetic Ordered State and Enhanced Conductivity in La3-xTbxNi2O7−δ with High Oxygen Pressure Annealing","authors":"Keke Jiao, Rui Niu, Weili Zhen, Huixin Xu, Wanli Zhu, Li Zheng, Yongliang Qin, Changjin Zhang","doi":"10.1007/s10948-025-06989-6","DOIUrl":"10.1007/s10948-025-06989-6","url":null,"abstract":"<div><p>A series of La<sub>3-<i>x</i></sub>Tb<sub><i>x</i></sub>Ni<sub>2</sub>O<sub>7-δ</sub> samples have been synthesized for the first time, and the effects of Tb doping in La<sub>3</sub>Ni<sub>2</sub>O<sub>7-δ</sub> are investigated through a comprehensive investigation on the structural parameters, electrical transport, and magnetic properties of the La<sub>3-<i>x</i></sub>Tb<sub><i>x</i></sub>Ni<sub>2</sub>O<sub>7-δ</sub> samples. Novel magnetic ordered state has been observed both in the as-prepared La<sub>3-<i>x</i></sub>Tb<sub><i>x</i></sub>Ni<sub>2</sub>O<sub>7-δ</sub> compounds and in the samples after high oxygen pressure annealing. The high oxygen pressure annealing results in substantial enhancement of the oxygen content and the increase of nominal valence state of Ni in the La<sub>3-<i>x</i></sub>Tb<sub><i>x</i></sub>Ni<sub>2</sub>O<sub>7-δ</sub> samples, leading to an enhanced conductivity. The present work could contribute to the exploration of possible ambient pressure superconductivity in doped La<sub>3</sub>Ni<sub>2</sub>O<sub>7-δ</sub> systems.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10948-025-06989-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"On the Impact of Magnetic Co-nanoparticles on the Activation Energy and Transport Critical Current Density in Multilayered Y(_{3})Ba(_{5})Cu(_{8})O(_{18-delta }) Superconductors","authors":"Ipsita Mukherjee, Doyel Rakshit, Firoz Molla, Ajay Kumar Ghosh","doi":"10.1007/s10948-025-06990-z","DOIUrl":"10.1007/s10948-025-06990-z","url":null,"abstract":"<div><p>Addition of magnetic nanoparticles of cobalt in the inter-granular region of polycrystalline Y<span>(_{3})</span>Ba<span>(_{5})</span>Cu<span>(_{8})</span>O<span>(_{18-delta })</span> (Y-358) affects both the superfluid phase stiffness (<span>(J)</span> <span>(_{s})</span>) and the transport critical current density (<span>(J)</span> <span>(_{c})</span>). We have studied the current-voltage (<i>IV</i>) characteristics of (i) the pure Y-358 and (ii) Co-mixed Y-358 superconductors. <span>(J_s)</span> via an exponent related to nonlinearity of the <i>IV</i> curves is obtained within the framework of Berezinskii-Kosterlitz-Thouless (BKT) transition. A distinct indication of the BKT transition has been observed in the Y-358+0.75 wt.% Co composite system. <span>(J_c)</span> (<i>T</i>) has also been extracted to understand the effectiveness of Co-nanoparticles. A suppression in the current induced activation energy (<i>U</i>) in zero magnetic field leads to the degradation in transport <span>(J)</span> <span>(_{c})</span> in the composite Y-358 superconductors.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144108382","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":"Unveiling the Magneto-Electronic, Mechanical, Thermodynamical, and Optical Behavior of Sc2FeZ (Z = Ga, In, Tl) Heusler Alloy: A DFT-Based Computer Simulation","authors":"Shruti Sharma, Dinesh C. Gupta","doi":"10.1007/s10948-025-06969-w","DOIUrl":"10.1007/s10948-025-06969-w","url":null,"abstract":"<div><p>To discover novel magnetic materials, we discuss computer models for estimating the structural, electrical, and magnetic, mechanical, thermodynamical, and optical characteristics of recently developed Sc<sub>2</sub>FeZ (Z = Ga, In, Tl) Heusler compounds. Together with providing the equilibrium values, the cohesive energy curve predicts the strong stability of a specific collection of materials in the F- 43 m phase. Compared to the generalized gradient approximation, the modified Becke-Johnson evaluates the exchange–correlation outcomes more effectively. The compounds in the stable F- 43 m phase have lattice values of 6.41 Å for Sc<sub>2</sub>FeGa, 6.67 Å for Sc<sub>2</sub>FeIn, and 6.71 Å for Sc<sub>2</sub>FeTl, respectively. Half-metallic character is computed from spin magnetic moments derived from band structure and density of states. These compound Sc<sub>2</sub>FeZ (Z = Ga, In, Tl) have indirect band gaps in majority spin alignment of 0.52, 0.50, and 0.49, respectively, according to the electronic band structure analysis. By applying the quasi-harmonic approximation of various parameters, such as the Debye temperature, Gruneisen parameters, and specific heat, it is possible to successfully study and clarify the thermodynamical stability of these materials against pressure and temperature. Additionally, the materials show remarkable absorption coefficients in the visible and ultraviolet regions of the light spectrum, suggesting that they are suitable for use in the application of optical and photovoltaic technology. The aforementioned computed properties support the usage of the alloys under study in optoelectronic and green energy applications.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144108383","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":"Influence of Calcination Temperature on Magnetic Properties and Antibacterial Activities of Co–Ni-Cd-Fe2O4 Nanocomposites","authors":"Hanaa Sh. Ahmed, Salah R. Saeed, Ali M. Mohammad","doi":"10.1007/s10948-025-06988-7","DOIUrl":"10.1007/s10948-025-06988-7","url":null,"abstract":"<div><p>Developing effective antibacterial agents has become an important challenge, especially with the increasing prevalence of antibiotic-resistant bacteria. Spinel ferrite nanocomposites have attracted considerable interest in biomedical applications due to their magnetic properties and antibacterial potential. The study investigates the effects of calcination temperatures (350, 450, and 550 °C) on the magnetic and antibacterial properties of Co<sub>0.6</sub>Ni<sub>0.2</sub>Cd<sub>0.2</sub>Fe<sub>2</sub>O<sub>4</sub> spinel nanocomposites synthesized using the sol–gel method. Understanding this relationship will provide valuable insights into optimizing ferrite-based nanomaterials for medical applications, particularly as antibacterial agents. The resulting nanocomposite was characterized using various techniques. X-ray diffraction study verified the existence of a pristine spinel phase in the specified spacing group of <span>(Fdoverline{3 }m)</span>. In addition, the crystal size slowly grew from 36.74 nm to 41.29 nm as the calcination temperature rose from 350 °C to 550 °C, but the average strain values went down from 1.79 to 1.56. The field emission-scanning electron microscopy analysis showed that the average particle size of Co<sub>0.6</sub>Ni<sub>0.2</sub>Cd<sub>0.2</sub>Fe<sub>2</sub>O<sub>4</sub> ferrite was 39.83, 40.96, and 41.60 nm at different calcination temperatures. The energy-dispersive X-ray spectroscopy has also confirmed the presence of Co, Ni, Cd, Fe, and O in all samples. Fourier transform infrared spectroscopy revealed the fingerprint bands υ<sub>1</sub> (~ 578) and υ<sub>2</sub> (~ 381) at 550 °C. Vibrating sample magnetometer analysis revealed that saturation magnetization increases from 53.95 to 57.37 emu/g<sup>1</sup> at 350 and 550 °C, respectively. The antibacterial examination performed via the agar well diffusion technique demonstrated that the Gram-positive bacteria, such as <i>Staphylococcus aureus</i> and <i>Streptococcus mutans</i>, were the most sensitive strains. They exhibited significant susceptibility at the highest concentration of 500 µg/mL (± 25 mm and ± 24 mm). In contrast, Gram-negative bacteria, including <i>Acinetobacter baumannii</i> and <i>Escherichia coli</i>, showed slightly less sensitivity (± 16.2 mm and ± 15 mm). Overall, the synthesized Co<sub>0.6</sub>Ni<sub>0.2</sub>Cd<sub>0.2</sub>Fe<sub>2</sub>O<sub>4</sub> spinel nanocomposite demonstrated potent antibacterial activity and can be considered a promising material for biomedical applications.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144100297","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}
Deqi Tang, Manas Pal, Tao Meng, Dongsen Mao, Zhaoteng Xue
{"title":"Synthesis and Applications of Magnetic Zeolites: A Comprehensive Review","authors":"Deqi Tang, Manas Pal, Tao Meng, Dongsen Mao, Zhaoteng Xue","doi":"10.1007/s10948-025-06986-9","DOIUrl":"10.1007/s10948-025-06986-9","url":null,"abstract":"<div><p>Magnetic zeolites are gaining a lot of attention for their potential in adsorption and catalytic applications. This review summarizes the structural characteristics and synthesis methods of three types of magnetic zeolites: internal magnetic zeolites, external magnetic zeolites, and complex magnetic zeolites. The application properties of various magnetic zeolites are discussed in detail, including their use in heavy metal adsorption, ammonia nitrogen removal from wastewater, radioactive waste adsorption, and oil contamination removal. Numerous studies have demonstrated that magnetic zeolites possess high magnetization (e.g., > 4 emu·g<sup>−1</sup>), enabling rapid and efficient magnetic separation of zeolite adsorbents. Magnetic zeolites also exhibit excellent adsorption and catalytic performance, maintaining their effectiveness even after multiple cycles (e.g., more than five cycles).</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084811","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}
R. Fakraoui, N. Assoudi, H. Felhi, A. Ben Abderrazak Hajji, R. Dhahri, E. Dhahri
{"title":"Investigation of the structural, magnetic, and magnetocaloric properties in the La₀.₆Ca₀.₂Sr₀.₂MnO₃ compound","authors":"R. Fakraoui, N. Assoudi, H. Felhi, A. Ben Abderrazak Hajji, R. Dhahri, E. Dhahri","doi":"10.1007/s10948-025-06982-z","DOIUrl":"10.1007/s10948-025-06982-z","url":null,"abstract":"<div><p>In this study, we investigated the structural, magnetic, and magnetocaloric properties, the blocking temperature (TB), and exchange bias (EB) behaviour of a La₀.₆Ca₀.₂Sr₀.₂MnO₃ (LCSMO) compound prepared by solid-state reaction. X-ray diffraction analysis, using Rietveld refinement, showed that the sample crystallize in an orthorhombic structure with the Pbnm space group. Scanning electron microscopy (SEM) confirmed the formation of a single-phase material with an excellent distribution map and the average particle size of <span>(37.8723 pm 0.5536)</span> nm. The M-T curve revealed second-order magnetic phase transitions at the Curie temperature (<i>T</i><sub>C</sub> = 340 K), shifting from a paramagnetic (PM) to ferromagnetic (FM) state. Our results reveal significant magnetic entropy changes, indicating a substantial magnetocaloric effect. Notably, the magnetic entropy change reaches a peak value of 5.763 J/kg.K accompanied by a considerable relative cooling capacity of 335 J/kg, observed under a magnetic field change of 5 T. Hysteresis measurements indicate the presence of a double coercive field leading to an exchange bias (EB) effect in the La₀.₆Ca₀.₂Sr₀.₂MnO₃ manganite compound. The coercivity went from 296.46 Oe (23.6 kA.m<sup>−1</sup>) at 5 K to 96.23 Oe (7.65 kA.m<sup>−1</sup>) at ambient temperature indicating soft ferromagnetic behaviour of the studied sample; thus, it is suitable for the production of electromagnetic devices and ultra-high recording devices. To understand the nature and mechanisms behind the phase transition from paramagnetic (PM) to ferromagnetic (FM) states, an analysis of critical exponents was performed. The critical exponents derived from the modified Arrott plots (<span>(beta =0.36615pm 0.0048)</span>) and (<span>(gamma =1.32846pm 0.02092)</span>) closely align with the prediction of the 3D-Heisenberg model.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144073789","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}
Yang Yang, Shi-Quan Feng, De-Wei Liu, Hai-Yang Dai
{"title":"Exploring Monolayer TaF(_4) as a 5(d^1) Analog to Cuprates with Potential for High-T(_c) Superconductivity","authors":"Yang Yang, Shi-Quan Feng, De-Wei Liu, Hai-Yang Dai","doi":"10.1007/s10948-025-06984-x","DOIUrl":"10.1007/s10948-025-06984-x","url":null,"abstract":"<div><p>The quest for cuprate-like materials has gained momentum from recent research on infinite-layer nickelates. TaF<span>(_4)</span>, with its structure of tantalum-centered fluorine octahedra, could potentially function as a <span>(5d^1)</span> analog to cuprates. According to density functional theory (DFT), monolayer TaF<span>(_4)</span> approximates a <span>(d^{1})</span> state, with the <span>(5d_{xy})</span> orbital of Ta almost half-filled. The Fermi level is intersected with a band derived from the <span>(5d_{xy})</span> orbital, resulting in a square-shaped Fermi surface. Energetically, the checkerboard AFM configuration is most favorable, leading to an AFM insulating state upon inclusion of Coulomb interaction. The RPA calculations show that spin susceptibility has notable <span>((pi ,pi ))</span> peaks, and the <span>(d_{x^2-y^2})</span>-wave pairing exhibits the highest eigenvalue compared to other pairing types. The structural and electronic parallels between TaF<span>(_4)</span> and cuprates highlight its potential for high-T<span>(_c)</span> superconductivity, although definitive evidence will require further theoretical and experimental validation.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944240","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}
Sadia Yasin, Dhafer O. Alshahrani, Hayat Ullah, Aijaz Rasool Chaudhry, Ghulam Murtaza
{"title":"Half-Metallic Ferromagnetism in UCu2X2 (X = P, As) Zintl Compounds: Exploring the Magnetic Stability, Electronic Structure, Exchange Interactions, and Implications for Next-Generation Storage Technologies","authors":"Sadia Yasin, Dhafer O. Alshahrani, Hayat Ullah, Aijaz Rasool Chaudhry, Ghulam Murtaza","doi":"10.1007/s10948-025-06983-y","DOIUrl":"10.1007/s10948-025-06983-y","url":null,"abstract":"<div><p>The pursuit of half-metallic ferromagnets with 100% spin polarization at room temperature remains an ongoing challenge. This study employs density functional theory to investigate the structural, electronic, and magnetic properties of Zintl compounds UCu<sub>2</sub>X<sub>2</sub> (X = P, As). The local density approximation (LDA) and generalized gradient approximation (GGA) have been employed within the full-potential linearized augmented plane wave plus local orbital (FP-LAPW + lo) method as exchange–correlation functionals. Additionally, the GGA + U approach and various versions of the modified Becke-Johnson (mBJ) potential were utilized to obtain more accurate results. Notably, the calculated lattice constants and c/a ratio for UCu<sub>2</sub>P<sub>2</sub> are in excellent agreement with experimental values. The results confirm the thermodynamic stability and robust atomic interactions of these compounds. It is discovered that all UCu<sub>2</sub>X<sub>2</sub> (X = P, As) Zintl compounds achieve their lowest ground state energy in the FM state as compared to the NM state. Electronic structure calculations reveal that UCu<sub>2</sub>X<sub>2</sub> exhibits half-metallic behavior, characterized by 100% spin polarization, an indirect band gap of 0.7 eV, and strong hybridization between X-s/p and U-f/d states. The compounds also display spin gapless semiconducting behavior and double exchange interaction, validating their half-metallic ferromagnetic nature. The ferromagnetism is primarily attributed to the appearance of one 5d-electron outside the final rare earth element’s filled 14-electron 4f shell. The U and Cu atoms contribute most significantly to the total magnetic moment, with minor contributions from interstitial regions. The presence of integer magnetic moments further corroborates the half-metallic ferromagnetic nature of UCu<sub>2</sub>X<sub>2</sub>, providing clear evidence of this phenomenon. The computed Curie temperatures are 0.0116 × 10<sup>5</sup> K and 0.0323 × 10<sup>5</sup> K for UCu<sub>2</sub>P<sub>2</sub> and UCu<sub>2</sub>As<sub>2</sub>, respectively. These findings highlight the potential of UCu<sub>2</sub>X<sub>2</sub> for applications in next-generation storage devices and spintronics, offering a promising avenue for further research and development.\u0000</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143932334","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":"Peculiarities of Superconductive Phase in Nanographite Films","authors":"Lebedev S. G.","doi":"10.1007/s10948-025-06976-x","DOIUrl":"10.1007/s10948-025-06976-x","url":null,"abstract":"<div><p>Report describes some unconventional electromagnetics properties of nanographite (NG) films which resemble room temperature superconductivity. NG film is the composite of 20–30 Å graphite clusters embedded in amorphous matrix. At such a small dimension, the superconductivity can be explained by the attraction of all electrons to all kernels of atoms constituting the graphite cluster. Possibilities of room temperature weak superconductivity in nanographite films are supported by the observation of reversed Josephson Effect (which is the transformation of microwave irradiation falling on the sample into the direct current through this sample) and its temperature dependence. This dependency is fully reminiscent of the behavior of known superconductors. Another effect is switching conductivity from high to very small value at some critical current (which can be used in electrical switchers), pinning of vortices on columnar topological structure of film observed in magnetic force microscope. In the article, an attempt is made to explain the appearance of coherent optical radiation upon conductivity switching in nanographite films by the movement of magnetic vortices and the thermomagnetic instability of their magnetic structure. Under the effort to find the state of global phase coherence in the nanographite films, the Josephson current at room temperature was detected, to the best of our knowledge, for the first time, when measuring the current–voltage characteristics.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143913943","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":"Rhombohedral Ba2NbBO6 (B = As, Sb, and Bi) Double Perovskites’ Elastic, Thermodynamic, and Directional Thermoelectric Properties","authors":"Saber Saad Essaoud, Missoum Radjai, Abdelmadjid Bouhemadou, Mohammed Elamin Ketfi, Djamel Allali, Rabah Khenata, Yarub Al-Douri","doi":"10.1007/s10948-025-06981-0","DOIUrl":"10.1007/s10948-025-06981-0","url":null,"abstract":"<div><p>We systematically analyzed the elastic, thermodynamic, and directional thermoelectric properties of a set of double perovskites, specifically Ba<sub>2</sub>NbAsO<sub>6</sub>, Ba<sub>2</sub>NbSbO<sub>6</sub>, and Ba<sub>2</sub>NbBiO<sub>6</sub>. We investigated the dependence of volume, bulk modulus, thermal expansion coefficient, Debye temperature, entropy, isobaric and isochoric heat capacities, and lattice thermal conductivity on temperature and pressure using the quasi-harmonic Debye model. We analyzed the thermoelectric parameters, including the Seebeck coefficient, thermal and electrical conductivity of holes and electrons, figure of merit, and power factor, in the <i>xx</i>, <i>yy</i>, and <i>zz</i> directions, through the quasi-classical Boltzmann model. The findings demonstrate a figure of merit exceeding 0.8 across a wide range of charge carrier concentrations and a Seebeck coefficient greater than 0.9 mV/K, making Ba<sub>2</sub>NbAsO<sub>6</sub>, Ba<sub>2</sub>NbBiO<sub>6</sub>, and Ba<sub>2</sub>NbSbO<sub>6</sub> compounds promising candidates for heat-to-electricity conversion applications. We assessed the mechanical stability and characteristics, including bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, Debye temperature, and the velocities of longitudinal, transverse, and average sound propagation, derived from the single-crystal elastic constants <i>C</i><sub>ij</sub>, which were evaluated numerically using the strain-stress technique.</p></div>","PeriodicalId":669,"journal":{"name":"Journal of Superconductivity and Novel Magnetism","volume":"38 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143919039","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}