Solid State Communications最新文献

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The effect of different Cu solute content and cooling rate on the microstructure and properties of Al-Cu alloy 研究了不同Cu溶质含量和冷却速率对Al-Cu合金组织和性能的影响
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-21 DOI: 10.1016/j.ssc.2025.116081
Xiangjie Wang , Lumin Gou , Zhenyu Wu , Hongjuan Tan , Jianzhong Cui , Changke Chen , Guozhong He
{"title":"The effect of different Cu solute content and cooling rate on the microstructure and properties of Al-Cu alloy","authors":"Xiangjie Wang ,&nbsp;Lumin Gou ,&nbsp;Zhenyu Wu ,&nbsp;Hongjuan Tan ,&nbsp;Jianzhong Cui ,&nbsp;Changke Chen ,&nbsp;Guozhong He","doi":"10.1016/j.ssc.2025.116081","DOIUrl":"10.1016/j.ssc.2025.116081","url":null,"abstract":"<div><div>This paper studied the effects of different Cu solute contents (6 wt%, 12 wt%, 20 wt% and 33 wt%) and cooling rates (6.3 °C/s, 11.2 °C/s, 20.1 °C/s and 92.9 °C/s) on the microstructure and properties of Al-Cu alloys. The results show that the alloy's microstructure changes with the increase of Cu content, the grain size decreased from 697.1 μm to 235.1 μm, the secondary dendrite arm spacing (SDAS) decreased from 25.6 μm to 18.5 μm, and the area fraction of eutectic constituent shows an increasing trend, from 12.0 % to 43.9 %. In the Al-20 wt%Cu alloys, as the cooling rate increases, the eutectic constituent α-Al + Al<sub>2</sub>Cu gradually changes from long strips and numerous agglomerated forms to smaller strips. The eutectic phase area fraction and the lattice constant of α-Al decrease first and then increase, whereas the relative solid solubility of α-Al increases first and then decreases.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116081"},"PeriodicalIF":2.1,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144686443","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}
引用次数: 0
Theoretical investigations on the magnetic properties of the (Sc,Nb)Fe2 compounds (Sc,Nb)Fe2化合物磁性能的理论研究
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-19 DOI: 10.1016/j.ssc.2025.116074
D. Benea , S. El Bidaoui , L.V.B. Diop , O. Isnard
{"title":"Theoretical investigations on the magnetic properties of the (Sc,Nb)Fe2 compounds","authors":"D. Benea ,&nbsp;S. El Bidaoui ,&nbsp;L.V.B. Diop ,&nbsp;O. Isnard","doi":"10.1016/j.ssc.2025.116074","DOIUrl":"10.1016/j.ssc.2025.116074","url":null,"abstract":"<div><div>The theoretical investigations on the electronic and magnetic properties of the Sc<sub>1-x</sub>Nb<sub>x</sub>Fe<sub>2</sub> (x = 0–0.6) Laves type intermetallic compounds with the C14 MgZn<sub>2</sub>-type structure are presented. The magnetic properties are determined by Fe <em>6h</em> atoms forming two Kagomé hexagonal sublattices, separated by Fe <em>2a</em> sites and Nb/Sc atoms in the interstices. ScFe<sub>2</sub> is a ferromagnet, but Nb for Sc substitution reduces interatomic distances and promotes antiferromagnetic interaction between Fe spins. The present theoretical study may provide an insight into the influence of the chemical composition and interatomic spacing on the magnetic properties (magnetic moments, exchange-coupling parameters, and Curie temperatures) of the Sc<sub>1-x</sub>Nb<sub>x</sub>Fe<sub>2</sub> series of compounds. The spin-polarized fully relativistic Korringa-Kohn-Rostoker (SPR-KKR) band structure method has been employed, using the coherent potential approximation (CPA) to deal with substitutional disorder. The available experimental data are used to give a more comprehensive description of the electronic and magnetic properties.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116074"},"PeriodicalIF":2.1,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144686444","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}
引用次数: 0
Exploring vitrification with LiCoO2 cathode-active material and P2O5 as glass forming reagent 探索用LiCoO2阴极活性材料和P2O5作为玻璃形成剂的玻璃化
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-18 DOI: 10.1016/j.ssc.2025.116077
José A. Jiménez
{"title":"Exploring vitrification with LiCoO2 cathode-active material and P2O5 as glass forming reagent","authors":"José A. Jiménez","doi":"10.1016/j.ssc.2025.116077","DOIUrl":"10.1016/j.ssc.2025.116077","url":null,"abstract":"<div><div>The search for novel strategies to manage cathode-active materials (CAMs) from lithium-ion batteries (LIBs) is currently an active area of research given their increasing demand in electric mobility. In this work, vitrification (the making of glasses) using lithium cobalt(III) oxide (LiCoO<sub>2</sub>) as CAM and phosphorus pentoxide (P<sub>2</sub>O<sub>5</sub>) as glass former is explored for the first time to provide proof-of-concept. The raw materials were mixed in various proportions and melted in air atmosphere guided by <em>x</em>LiCoO<sub>2</sub>-(100 – <em>x</em>)P<sub>2</sub>O<sub>5</sub> with <em>x</em> = 20, 25, 30, 35 and 40 mol% formulas. The materials formed were subsequently characterized by X-ray diffraction (XRD), density, Fourier-transform infrared (FT-IR) spectroscopy, differential scanning calorimetry (DSC), and optical transmission measurements. The data supported glass formation in the compositional range explored, wherein the densities tended to increase with LiCoO<sub>2</sub> concentration. The FT-IR data suggested that incorporating LiCoO<sub>2</sub> at the expense of P<sub>2</sub>O<sub>5</sub> leads to a network depolymerization effect evidenced for instance by the upsurge of the <em>v</em><sub><em>as</em></sub>(PO<sub>3</sub><sup>2−</sup>) band of end-of-chain PO<sub>4</sub> tetrahedra. Further, DSC showed that the glass transition temperatures increased steadily while glass stability decreased with increasing LiCoO<sub>2</sub> content. The optical measurements showed overall decreased transmittance ensued in connection with the presence of cobalt ions in different coordination environments. Herein, a potential for the glasses for developing blue bandpass filters is suggested. The preliminary work carried out stimulates further research concerning the potential of vitrification with P<sub>2</sub>O<sub>5</sub> for the management or upcycling of the LiCoO<sub>2</sub> cathode material from spent LIBs.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116077"},"PeriodicalIF":2.1,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144686566","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}
引用次数: 0
Experimental and computational study of a hybrid phosphate crystal exhibiting a wide energy band gap: Structural, optical, and insight from Hirshfeld surface analysis and DFT calculations 具有宽能带隙的杂化磷酸盐晶体的实验和计算研究:结构、光学和来自Hirshfeld表面分析和DFT计算的见解
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-18 DOI: 10.1016/j.ssc.2025.116073
Abdellatif Rafik , Zari Rkia , Miha Lukšič , Hafid Zouihri , Burak Tüzün
{"title":"Experimental and computational study of a hybrid phosphate crystal exhibiting a wide energy band gap: Structural, optical, and insight from Hirshfeld surface analysis and DFT calculations","authors":"Abdellatif Rafik ,&nbsp;Zari Rkia ,&nbsp;Miha Lukšič ,&nbsp;Hafid Zouihri ,&nbsp;Burak Tüzün","doi":"10.1016/j.ssc.2025.116073","DOIUrl":"10.1016/j.ssc.2025.116073","url":null,"abstract":"<div><div>The crystal structure of C<sub>4</sub>H<sub>10</sub>NO<sub>3</sub><sup>+</sup>.H<sub>2</sub>PO<sub>4</sub><sup>−</sup> reveals a three-dimensional hydrogen-bonded network composed of dihydrogen phosphate anions, carboxyl groups, and ammonium groups, the molecular geometry of DLTDP was optimized using Becke's three-parameter hybrid functional, the Lee-Yang-Parr correlation functional (B3LYP) theory, and the 6-311G basis set. Additionally, fingerprint plots derived from the Hirshfeld surface were employed to explore the crystal's intermolecular interactions and the compound, H⋯H contacts appear as asymmetrically scattered dots, covering a large area of the two-dimensional FP maps, with a single broad peak at de = di ∼ 1.2 Å and a significant contribution of 33.6 %. O⋯H/H⋯O contacts, However, the volume occupied by these voids represents about 9.56 % of the volume of the unit cell. The nonlinear optical (NLO) properties of DLTDP were also theoretically predicted. Its electronic properties, including HOMO and LUMO energies, were computed to assess the charge transfer characteristics. Local reactivity descriptors, such as electrophilicity indices, were used to identify the most reactive sites. To investigate the electronic structure and intra/intermolecular charge transfer within the DLTDP molecule, Natural Bond Orbital (NBO) analysis was employed. This approach provided detailed insights into donor–acceptor interactions and the stabilization energies associated with electron delocalization. The nucleophilic and electrophilic regions were determined through molecular electrostatic potential (MEP) mapping and Fukui function analysis. The IR spectra exhibited a broad absorption band around 2350 cm<sup>−1</sup>, attributed to the O–H stretching vibration of the H<sub>2</sub>PO<sub>4</sub><sup>−</sup> group, indicating the formation of hydrogen bonds between H<sub>2</sub>PO<sub>4</sub><sup>−</sup> anions and N–H groups. In addition, the interaction of the investigated compound with COVID-19 target proteins was studied. Molecular dynamics simulations were performed over a time scale of 0–100 ns to analyze its interaction with the protein exhibiting the lowest docking energy. Finally, the DLTDP crystal showed an optical band gap of 5.87 ± 0.01 eV, indicating its potential suitability for optical applications due to its wide band gap.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116073"},"PeriodicalIF":2.1,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144679600","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}
引用次数: 0
Theoretical study of intrinsic ferromagnetic to antiferromagnetic switching in two-dimensional Fe/CoCl2 monolayers encapsulated in UiO–67 MOF via edge termination UiO-67 MOF封装二维Fe/CoCl2单分子层经边缘终止的本征铁磁到反铁磁切换的理论研究
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-17 DOI: 10.1016/j.ssc.2025.116049
Sufian Alnemrat , Warren W. Tomlinson , Khaled Y. Mustafa , Gassem M. Alzoubi
{"title":"Theoretical study of intrinsic ferromagnetic to antiferromagnetic switching in two-dimensional Fe/CoCl2 monolayers encapsulated in UiO–67 MOF via edge termination","authors":"Sufian Alnemrat ,&nbsp;Warren W. Tomlinson ,&nbsp;Khaled Y. Mustafa ,&nbsp;Gassem M. Alzoubi","doi":"10.1016/j.ssc.2025.116049","DOIUrl":"10.1016/j.ssc.2025.116049","url":null,"abstract":"<div><div>Density Functional Theory (DFT) calculations are used to study the magnetic properties of two dimensional (2D) Fe/CoCl<sub>2</sub> structures recently synthesized inside a derivative of UiO–67 Metal–Organic Framework (MOF). Both structures found stable in their high spin ground state with large intrinsic magnetic moments at each metal site. The calculated magnetic moments of Fe/CoCl<sub>2</sub> structures are on average 3.75 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>β</mi></mrow></msub></math></span>/Fe and 2.30 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>β</mi></mrow></msub></math></span>/Co. These values are close to what is expected for Fe<sup>2+</sup>/Co<span><math><msup><mrow></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></math></span> cations in a d<sup>6</sup> and d<sup>7</sup> electronic configurations with four and three unpaired electrons in their high spin states respectively. According to the calculated nearest neighbor (NN) magnetic exchange coupling constants (J’s), superexchange interactions among metal cations are FerroMagnetic (FM) in FeCl<sub>2</sub> and AntiFerroMagnetic (AFM) in CoCl<sub>2</sub>. All interactions become AFM in the presence of [Fe/CoCl<sub>4</sub>]<span><math><msup><mrow></mrow><mrow><mn>2</mn><mo>−</mo></mrow></msup></math></span> groups at the outer edge of both structures within the MOF’s pore environment. Switching the magnetic interactions from FM to AFM by means of edge termination can have several important applications in spintronic devices and magnetic memory devices based on AFM materials.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116049"},"PeriodicalIF":2.1,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144665605","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}
引用次数: 0
Engineering microneedle morphology in MgCo2O4 thin films via deposition time control for advanced supercapacitors electrode 先进超级电容器电极沉积时间控制下MgCo2O4薄膜微针形貌的工程化研究
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-17 DOI: 10.1016/j.ssc.2025.116076
Mahesh Govind Bagal , Pratik Ashok Patil , Ratnamala Bhalchandra Waghmode , Balbhim Sahebrao Maharnavar , Rajendra Devidas Kale , Ramesh Jivaram Deokate , Sunanda Harishchandra Pisal
{"title":"Engineering microneedle morphology in MgCo2O4 thin films via deposition time control for advanced supercapacitors electrode","authors":"Mahesh Govind Bagal ,&nbsp;Pratik Ashok Patil ,&nbsp;Ratnamala Bhalchandra Waghmode ,&nbsp;Balbhim Sahebrao Maharnavar ,&nbsp;Rajendra Devidas Kale ,&nbsp;Ramesh Jivaram Deokate ,&nbsp;Sunanda Harishchandra Pisal","doi":"10.1016/j.ssc.2025.116076","DOIUrl":"10.1016/j.ssc.2025.116076","url":null,"abstract":"<div><div>MgCo<sub>2</sub>O<sub>4</sub> thin films were successfully synthesized on stainless steel substrates using a chemical bath deposition (CBD) technique with varying deposition times of 4, 5, and 6 h to investigate their suitability for supercapacitor applications. Structural analysis via XRD confirmed the formation of the cubic spinel phase, with the 5-h deposited (T5) film exhibiting superior crystallinity and minimal dislocation defects. FTIR spectra validated the spinel structure through characteristic metal–oxygen vibrations, with T5 showing sharper peaks, indicating better structural integrity and surface properties. SEM revealed that the T5 film developed a distinct microneedle-like morphology, enhancing surface area and ion diffusion. Electrochemical studies demonstrated that the T5 electrode achieved high specific capacitances of 652.13 F g<sup>−1</sup> at 50 mV s<sup>−1</sup> and 433.1 F g<sup>−1</sup> at 1 mA cm<sup>−2</sup>, along with excellent rate capability, low charge transfer resistance, and 78 % capacitance retention over 5000 cycles. These findings emphasize that a 5-h deposition time yields optimal microstructural and electrochemical characteristics, underlining the importance of morphology control in the design of high-performance supercapacitor electrodes.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116076"},"PeriodicalIF":2.1,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144679562","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}
引用次数: 0
Structural, microstructural, and dielectric properties of Al, Ga, and Cr based high-entropy spinel oxides Al、Ga和Cr基高熵尖晶石氧化物的结构、显微结构和介电性能
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-15 DOI: 10.1016/j.ssc.2025.116069
Sushanta Mandal, Neha Sharma, Sourav Marik, Tirthankar Chakraborty
{"title":"Structural, microstructural, and dielectric properties of Al, Ga, and Cr based high-entropy spinel oxides","authors":"Sushanta Mandal,&nbsp;Neha Sharma,&nbsp;Sourav Marik,&nbsp;Tirthankar Chakraborty","doi":"10.1016/j.ssc.2025.116069","DOIUrl":"10.1016/j.ssc.2025.116069","url":null,"abstract":"<div><div>This study investigates the structural, microstructural, and dielectric properties of high-entropy spinel oxides with compositions (Ni<sub>0.2</sub>Mg<sub>0.2</sub>Co<sub>0.2</sub>Cu<sub>0.2</sub>Zn<sub>0.2</sub>)B<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>, where B = Al, Ga, and Cr. X-ray diffraction (XRD) analysis confirms the formation of a single-phase cubic spinel structure (space group <span><math><mrow><mi>F</mi><mi>d</mi><mover><mrow><mn>3</mn></mrow><mrow><mo>̄</mo></mrow></mover><mi>m</mi></mrow></math></span><em>)</em> for all compositions, with minor variations in lattice parameters and crystallite size attributed to the ionic radii and electronic configurations of the B-site cations. Field-emission scanning electron microscopy (FESEM) reveals uniform particle distributions with minimal agglomeration, indicating controlled microstructural characteristics. Dielectric properties were systematically examined using complex impedance spectroscopy over a frequency range of 100 Hz to 1 MHz. The frequency-dependent dielectric permittivity and tangent loss are explained by hopping charge polarization and defect dipole formation, with the modified Debye model effectively describing the relaxation processes. The results demonstrate that the dielectric properties are significantly influenced by the B-site cation, with Al and Ga-based samples exhibiting lower tangent loss, making them suitable for high-frequency applications, while Cr-based samples show higher tangent loss, indicating potential for energy absorption applications. These findings highlight the potential of high-entropy spinel oxides as advanced functional materials for tailored dielectric applications, offering insights into the role of configurational entropy and cationic disorder in optimizing material performance.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116069"},"PeriodicalIF":2.1,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144663395","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}
引用次数: 0
Thiosulfate ion degradation on gold (111) surface: A DFT study 硫代硫酸盐离子在金(111)表面降解的DFT研究
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-14 DOI: 10.1016/j.ssc.2025.116072
Yasin Zia , Mehrdad Najafi Liavali , Kourosh Rahimi , Amir Bayat
{"title":"Thiosulfate ion degradation on gold (111) surface: A DFT study","authors":"Yasin Zia ,&nbsp;Mehrdad Najafi Liavali ,&nbsp;Kourosh Rahimi ,&nbsp;Amir Bayat","doi":"10.1016/j.ssc.2025.116072","DOIUrl":"10.1016/j.ssc.2025.116072","url":null,"abstract":"<div><div>We have investigated the interaction of thiosulfate ion (S<sub>2</sub>O<sub>3</sub><sup>2−</sup>) on gold (111) surface as an alternative to cyanide in gold leaching by the density functional theory (DFT) method. The results show that this interaction leads to the degradation of thiosulfate ion on the gold (111) surface. Thiosulfate ion degradation happened through S-S bond breaking and led to formation of an adsorbed sulfur specie and a released SO<sub>3</sub> molecule (inter-bond angle of 120° and a bond length of 1.43 Å). Furthermore, the adsorbed sulfur specie was adsorbed at the hollow site on the gold (111) surface and bonded to three surface Au atoms (bond lengths: 2.33 Å). This interaction led to a rearrangement of the upper Au layer. To describe the nature of adsorbed sulfur specie, we have investigated the interaction of elemental sulfur (S<sup>0</sup>) and sulfide ion (S<sup>2−</sup>) on the gold (111) surface. The interaction of elemental sulfur and the gold (111) surface has a more similar geometry to sulfur specie product of thiosulfate ion degradation on the gold (111) surface. Also, by increasing the charge of system, the S-three Au atoms bond lengths has increased. It shows that by increasing the charge of system, the tendency of sulfur specie to the gold (111) surface has decreased. Based on the results, the rearrangement of the upper Au layer isn't because of the interaction of the thiosulfate ion. This phenomenon is because of the interaction of the sulfur specie as a thiosulfate degradation product (adsorbed sulfur) on the gold (111) surface.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116072"},"PeriodicalIF":2.1,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144655973","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}
引用次数: 0
Modification in the structural and dielectric properties of ErCrO3 on Fe substitution 铁取代对ErCrO3结构和介电性能的影响
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-11 DOI: 10.1016/j.ssc.2025.116071
Pallabi Saha , Sikha Sarmah , P.K. Maji , Manoranjan Kar , Amar Dev , Tribedi Bora
{"title":"Modification in the structural and dielectric properties of ErCrO3 on Fe substitution","authors":"Pallabi Saha ,&nbsp;Sikha Sarmah ,&nbsp;P.K. Maji ,&nbsp;Manoranjan Kar ,&nbsp;Amar Dev ,&nbsp;Tribedi Bora","doi":"10.1016/j.ssc.2025.116071","DOIUrl":"10.1016/j.ssc.2025.116071","url":null,"abstract":"<div><div>Polycrystalline samples of ErCr<sub>1-<em>x</em></sub>Fe<sub><em>x</em></sub>O<sub>3</sub> (0≤ <em>x</em> ≤ 0.30) have been synthesized in single-phase form using the sol-gel technique. XRD patterns analyzed via Rietveld refinement confirm the orthorhombic structure with unit cell volumes increasing from 216.989 Å<sup>3</sup> (<em>x</em> = 0.00) to 218.565 Å<sup>3</sup> (<em>x</em> = 0.30), attributed to the substitution of larger Fe<sup>3+</sup> ions (0.645 Å) for Cr<sup>3+</sup> ions (0.615 Å). Scanning Electron Microscopy (SEM) showed grain sizes ranging from 335 nm (<em>x</em> = 0.00) to 689 nm (<em>x</em> = 0.15). Energy Dispersive X-ray Spectroscopy (EDX) and Raman Spectroscopy corroborated the formation of the orthochromite structure. Impedance spectroscopy study revealed a discontinuity in the resistive behavior for all the samples showing the appearance of positive temperature coefficient of resistance (positive TCR) like transition in the temperature range of 393 K–443 K. Similar trend was also observed in the dielectric and the conductivity measurements around the same temperature range. All the ErCr<sub>1-<em>x</em></sub>Fe<sub><em>x</em></sub>O<sub>3</sub> compounds showed a colossal dielectric constant value (&gt;10<sup>4</sup>) at room temperature, supporting the potential use of these compounds in electronic devices. The ac conductivity spectra followed Jonscher Power Law (JPL).</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116071"},"PeriodicalIF":2.1,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144632380","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}
引用次数: 0
Computational insights into strain modulated mechanical, electrical and thermoelectric properties of CoTiP half-Heusler CoTiP半heusler材料应变调制力学、电学和热电性能的计算分析
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-07-11 DOI: 10.1016/j.ssc.2025.116070
Bouchrit Abir, Assiouan Kamal, Ziani Hanan, Ben Abdelouahab Fatima Zohra, El khamkhami Jamal, Achahbar Abdelfettah
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