Solid State Communications最新文献

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Sustainable bioreduction of graphene oxide via isopropanol-based Camellia sinensis extracts: Influence of tea varieties 以异丙醇为基础的茶树提取物可持续生物还原氧化石墨烯:茶叶品种的影响
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-05-13 DOI: 10.1016/j.ssc.2025.115995
Rodolfo Daniel Ávila-Avilés , Juan Pablo Martínez-Montero , María Alejandra Villanueva-López , Victor Fabian Ruiz-Ruiz , Alfredo Rafael Vilchis-Nestor
{"title":"Sustainable bioreduction of graphene oxide via isopropanol-based Camellia sinensis extracts: Influence of tea varieties","authors":"Rodolfo Daniel Ávila-Avilés ,&nbsp;Juan Pablo Martínez-Montero ,&nbsp;María Alejandra Villanueva-López ,&nbsp;Victor Fabian Ruiz-Ruiz ,&nbsp;Alfredo Rafael Vilchis-Nestor","doi":"10.1016/j.ssc.2025.115995","DOIUrl":"10.1016/j.ssc.2025.115995","url":null,"abstract":"<div><div>Graphene oxide (GO) is promising for energy storage, sensing, and biomedical applications. Reducing GO to reduced graphene oxide (rGO) enhances its properties. This study explores the reduction of GO using isopropanol-based extracts from various <em>Camellia sinensis</em> preparations (white, black, green, and red teas). Characterization via Raman spectroscopy, FTIR, SEM, and TEM confirmed the synthesis of rGO with varying defect levels and oxygen group removal. Green and black tea proved particularly effective. This green synthesis approach offers a sustainable and eco-friendly method for producing graphene-based materials with potential applications in various fields.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115995"},"PeriodicalIF":2.1,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068966","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
Electrical and optical characterization of Al/MgO/p-Si (MIS) diode with magnesium oxide thin films by spraying method 用喷涂法表征氧化镁薄膜Al/MgO/p-Si (MIS)二极管的电学和光学特性
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-05-08 DOI: 10.1016/j.ssc.2025.115992
Ö. Güllü , M. Türkeri , A. Tataroğlu
{"title":"Electrical and optical characterization of Al/MgO/p-Si (MIS) diode with magnesium oxide thin films by spraying method","authors":"Ö. Güllü ,&nbsp;M. Türkeri ,&nbsp;A. Tataroğlu","doi":"10.1016/j.ssc.2025.115992","DOIUrl":"10.1016/j.ssc.2025.115992","url":null,"abstract":"<div><div>MgO films were deposited on a glass substrate using a spray coating method and annealed to obtain pure MgO phase. The films were characterized by XRD, AFM and UV–Vis spectrophotometry. XRD results showed a well-defined crystal structure with peaks corresponding to the (111), (200) and (220) orientations, with a crystallite size of 35.21 nm. AFM analysis revealed a rough surface morphology suitable for sensor and photocatalytic applications. Optical characterization revealed a transmittance (∼65 %) in the visible region and an optical band gap of 3.93 eV, making this material promising for optoelectronic devices. The extracted barrier height and ideality factor for the Al/MgO/p-Si (MIS) diode were 0.894 ± 0.050 eV and 1.454 ± 0.080, respectively. These findings suggest that the MgO layer significantly affects the electrical/optical properties of the diode, offering improved performance in electronic and optoelectronic applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115992"},"PeriodicalIF":2.1,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922273","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
A single electrode comparison of Ni & Cu MOF for supercapacitor applications 用于超级电容器的Ni和Cu MOF的单电极比较
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-05-08 DOI: 10.1016/j.ssc.2025.115991
Muhammad Imran Bashir , Muhammad Imran , Faiza Anjum , Amara Nasir , Shaista Taimur , Faran Baig , Zeeshan Zaheer , Faheem Qasim
{"title":"A single electrode comparison of Ni & Cu MOF for supercapacitor applications","authors":"Muhammad Imran Bashir ,&nbsp;Muhammad Imran ,&nbsp;Faiza Anjum ,&nbsp;Amara Nasir ,&nbsp;Shaista Taimur ,&nbsp;Faran Baig ,&nbsp;Zeeshan Zaheer ,&nbsp;Faheem Qasim","doi":"10.1016/j.ssc.2025.115991","DOIUrl":"10.1016/j.ssc.2025.115991","url":null,"abstract":"<div><div>Metal-organic framework (MOF)-based materials can be effectively utilized as supercapacitor electrodes owing to its strong redox activity and large specific surface. This paper presented a detailed comparative analysis of the facile hydrothermally produced nickel and copper MOFs. The advantage of nickel and copper MOFs over other MOFs for energy storage applications is also explored. The comparison explained the high surface area and tunable porosity, exceptional electrical conductivity and electrochemical performance, variable framework, and cost effectiveness of the MOFs. The structural analysis is performed by using X-ray diffraction (XRD), whereas the morphology of the MOFs is observed with scanning electron microscopy (SEM). The electrochemical behavior of MOFs probed by Cyclic Voltammetry (CV), Galvanostatic Charge–Discharge (GCD) and Electrochemical Impedance Spectroscopy (EIS). The electrochemical testing for CV was executed in the range 10–100 mV/s. The nickel MOF electrode produced a specific capacitance of 411.11 F/g at 1 A/g current density. However, the copper MOF electrode formed a specific capacitance of 348.6 F/g. Moreover, nickel MOF exhibited hybrid supercapacitor properties and copper MOF showed pseudo supercapacitor properties revealed by the b-values.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115991"},"PeriodicalIF":2.1,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143935310","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 analysis on vibration reduction characteristics of a novel phononic-like crystal plate structure 一种新型类声子晶体板结构减振特性的理论分析
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-05-04 DOI: 10.1016/j.ssc.2025.115986
Haizhong Zheng, Linchang Miao, Peng Xiao, Benben Zhang, Qian Wang
{"title":"Theoretical analysis on vibration reduction characteristics of a novel phononic-like crystal plate structure","authors":"Haizhong Zheng,&nbsp;Linchang Miao,&nbsp;Peng Xiao,&nbsp;Benben Zhang,&nbsp;Qian Wang","doi":"10.1016/j.ssc.2025.115986","DOIUrl":"10.1016/j.ssc.2025.115986","url":null,"abstract":"<div><div>The ambient vibrations have been paid widespread attention in the engineering field, especially for low-frequency vibrations of plate structures. Local resonance phononic crystals (LRPCs) can obtain low-frequency band gaps, providing new ideas and methods for solving the low-frequency vibration problems of plate structures. Nevertheless, the traditional LRPC plate structures have a narrow bandgap width and a relatively single bandgap, making it difficult to apply in practical engineering. Thus, this paper proposes a phononic-like crystal (PLC) plate model with multiple low-frequency band gaps. This new PLC plate takes into account the elastic constraints of the foundation, external loads, and material damping. The characteristics of band structure and vibration transmission of the new PLC plate structure, and the influences of the coupling effects of the external forces and elastic constraints, and damping ratio of material on characteristics of vibration reduction are analyzed by theoretical calculations in detail. The results show that the PLC plate can open six low-frequency bandgaps within 200 Hz, the vibrations can significantly attenuate within the bandgaps, and the maximum attenuation amplitude can reach 22 dB. The elastic constraints and material damping have significant impacts on vibration attenuation characteristics, while external forces have little effect.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115986"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143942427","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
A computational first principles investigation on the structural, elastic, electronic and optical characteristics of the ternary alloys ScxLu1-xN ScxLu1-xN三元合金的结构、弹性、电子和光学特性的第一性计算研究
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-05-03 DOI: 10.1016/j.ssc.2025.115990
B. Ouchene , H. Meradji , S. Ghemid , O. Drici , A. Boumaza , Devraj Singh , W. Ahmed , S. Bin-Omran , R. Khenata
{"title":"A computational first principles investigation on the structural, elastic, electronic and optical characteristics of the ternary alloys ScxLu1-xN","authors":"B. Ouchene ,&nbsp;H. Meradji ,&nbsp;S. Ghemid ,&nbsp;O. Drici ,&nbsp;A. Boumaza ,&nbsp;Devraj Singh ,&nbsp;W. Ahmed ,&nbsp;S. Bin-Omran ,&nbsp;R. Khenata","doi":"10.1016/j.ssc.2025.115990","DOIUrl":"10.1016/j.ssc.2025.115990","url":null,"abstract":"<div><div>This study investigates the structural, elastic, electronic, and optical properties of the stable phase of ScN and LuN materials and their mixed ternary alloys, formulated as Sc<sub>x</sub>Lu<sub>1-x</sub>N, 0 ≤ x ≤ 1. This study uses the full potential linearized augmented plane wave technique within the density functional theory system and is performed using the WIEN2k computational package for crystalline solids. Based on our computational work carried out using the Wu and Cohen generalized gradient approach for the exchange-correlation function, we find that the structural variables of the alloys generally follow the Vegard's law. The elastic stability is confirmed using the computational data for elastic constants by applying Born's criteria. The determinations show that all tested alloys are brittle and are classified as hard materials. The band structure evaluation shows that the mixed alloys exhibit a direct band gap at Γ–Γ, while their binary counterparts have an indirect band gap at Γ–X. Moreover, the band gap energy of the alloy Sc<sub>x</sub>Lu<sub>1-x</sub>N shows a nonlinear response with changes in the x concentration. Additionally, optical variables such as the refractive index, absorption coefficient, optical conductivity and loss functions have been enumerated and discussed. Some qualitative conclusions have been drawn regarding these alloys.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115990"},"PeriodicalIF":2.1,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922272","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
Enhancing optical and magnetic properties of AlFeO3-modified Bi1/2Na1/2TiO3 materials 增强alfeo3修饰Bi1/2Na1/2TiO3材料的光学和磁性能
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-05-02 DOI: 10.1016/j.ssc.2025.115989
Nguyen Huu Lam , Dang Duc Dung
{"title":"Enhancing optical and magnetic properties of AlFeO3-modified Bi1/2Na1/2TiO3 materials","authors":"Nguyen Huu Lam ,&nbsp;Dang Duc Dung","doi":"10.1016/j.ssc.2025.115989","DOIUrl":"10.1016/j.ssc.2025.115989","url":null,"abstract":"<div><div>In this study, solid solutions of (1-<em>x</em>)Bi<sub>1/2</sub>Na<sub>1/2</sub>TiO<sub>3</sub>+<em>x</em>AlFeO<sub>3</sub> were successfully synthesized using the sol-gel method. X-ray diffraction and Raman scattering analyses revealed that all samples maintained rhombohedral structural symmetry, with Al and Fe cations randomly incorporated into the Bi<sub>1/2</sub>Na<sub>1/2</sub>TiO<sub>3</sub> lattice during solid solution formation. This incorporation induced lattice distortions and reduced the optical band gap from 3.07 eV for pure Bi<sub>1/2</sub>Na<sub>1/2</sub>TiO<sub>3</sub> to 2.64 eV for the sample containing 9 mol.% AlFeO<sub>3</sub>. Additionally, significant enhancements in magnetic properties were observed in the (1-<em>x</em>)B<sub>1/2</sub>Na<sub>1/2</sub>TiO<sub>3</sub>+<em>x</em>AlFeO<sub>3</sub> system compared to pure Bi<sub>1/2</sub>Na<sub>1/2</sub>TiO<sub>3</sub>. These findings offer valuable insights into the development of multifunctional lead-free materials for future technological applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115989"},"PeriodicalIF":2.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904002","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
The influence of the sintering temperature on optical, magnetic, thermal properties and charge density distribution of NiO ceramics 烧结温度对NiO陶瓷的光学、磁性、热学性能和电荷密度分布的影响
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-05-02 DOI: 10.1016/j.ssc.2025.115988
B. Subha , R. Saravanan , N. Srinivasan
{"title":"The influence of the sintering temperature on optical, magnetic, thermal properties and charge density distribution of NiO ceramics","authors":"B. Subha ,&nbsp;R. Saravanan ,&nbsp;N. Srinivasan","doi":"10.1016/j.ssc.2025.115988","DOIUrl":"10.1016/j.ssc.2025.115988","url":null,"abstract":"<div><div>This work describes the influence of sintering temperature (200 °C, 400 °C, and 1000 °C) on the structural, morphological, optical, and magnetic characteristics of nickel oxide (NiO) ceramics. Comprehensive characterization techniques such as powder X-ray diffraction (PXRD), UV–visible spectrometry, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), vibrating sample magnetometry (VSM), and thermogravimetric analysis (TGA) to assess the sintering effects. PXRD analysis confirmed the formation of single-phase cubic NiO structure with the increase in peak intensities and average crystallite size 34 nm, 38 nm and 42 nm at 200 °C, 400 °C and 1000 °C signposted enhanced grain growth. Maximum Entropy Method (MEM) analysis revealed a covalent bonding of NiO ceramics. SEM and EDS analysis showed a well-defined and uniform distribution with elemental purity compositions Ni and O. Optical measurements signposted narrow band-gap energies 3.82 eV, 3.80 eV and 3.61 eV at increasing temperature. Additionally, magnetic characterization by VSM revealed a transition from weak to stronger ferromagnetism with increasing temperature. TGA/DTA demonstrated improved thermal stability in higher sintering temperature with weight loss of 7.58 %, 4.79 % and 3.37 % respectively. These findings accentuate the insights significant role in tailoring NiO ceramics for optoelectronics and nanotechnological applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115988"},"PeriodicalIF":2.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904000","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
Enhanced red light detection in eco- friendly perovskite-based photodetector with improved low- light sensitivity 环保型钙钛矿基光电探测器中红光探测能力的增强及低光灵敏度的提高
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-05-01 DOI: 10.1016/j.ssc.2025.115983
Richa Srivastava, Sudhanshu Verma, Akhilesh Kumar Chaudhary, Anupam Sahu
{"title":"Enhanced red light detection in eco- friendly perovskite-based photodetector with improved low- light sensitivity","authors":"Richa Srivastava,&nbsp;Sudhanshu Verma,&nbsp;Akhilesh Kumar Chaudhary,&nbsp;Anupam Sahu","doi":"10.1016/j.ssc.2025.115983","DOIUrl":"10.1016/j.ssc.2025.115983","url":null,"abstract":"<div><div>The design of a high-performance photodetector using a combination of Tin oxide (SnO<sub>2</sub>) as the electron transport layer, zinc phosphide (Zn<sub>3</sub>P<sub>2</sub>) as the hole transport layer, and methylammonium tin bromide (CH<sub>3</sub>NH<sub>3</sub>SnBr<sub>3</sub>) as the absorber layer has been proposed in this work. The perovskite absorber layer exhibits strong light-harvesting capability, particularly under low-intensity illumination, ensuring enhanced photon absorption and improved charge carrier generation efficiency, thereby facilitating superior photocurrent production in dim-light conditions. The photodetector exhibits excellent performance within the 610–690 nm wavelength range, achieving a responsivity of 0.48 A/W under light and a maximum detectivity of 8.5 × 10<sup>14</sup> Jones, highlighting its exceptional sensitivity to red light. The quantum efficiency (QE) exceeds 95 % in the visible range. The optimization of the proposed design is conducted using SCAPS-1D software, enhancing the device's overall performance. The results indicate that the strategic selection of materials, optimization of layer thicknesses, and reduction of defects are crucial for enhancing the optoelectronic performance of photodetectors.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115983"},"PeriodicalIF":2.1,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900287","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
Impact of Ca2+ substitution on the dielectric and ferroelectric behavior of BaTi0.95Sn0.05O3: A study of electron density distribution Ca2+取代对BaTi0.95Sn0.05O3介电和铁电行为的影响:电子密度分布的研究
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-04-30 DOI: 10.1016/j.ssc.2025.115981
Subramanian Sasikumar , Jeganathan Mangaiyarkkarasi , Dhanushkodi Sivaganesh , Subramanian Saravanakumar
{"title":"Impact of Ca2+ substitution on the dielectric and ferroelectric behavior of BaTi0.95Sn0.05O3: A study of electron density distribution","authors":"Subramanian Sasikumar ,&nbsp;Jeganathan Mangaiyarkkarasi ,&nbsp;Dhanushkodi Sivaganesh ,&nbsp;Subramanian Saravanakumar","doi":"10.1016/j.ssc.2025.115981","DOIUrl":"10.1016/j.ssc.2025.115981","url":null,"abstract":"<div><div>In this study, lead-free Ba<sub>1-<em>x</em></sub>Ca<sub><em>x</em></sub>Ti<sub>0.95</sub>Sn<sub>0.05</sub>O<sub>3</sub> (<em>x</em> = 0.0, 0.05, 0.10, 0.15, and 0.20) ceramics were prepared using the conventional solid-state sintering route. The effects of Ca<sup>2+</sup> doping at the A-site on the structural, dielectric, ferroelectric, and electrostrain properties were investigated. XRD, Rietveld refinement, and Raman spectra results revealed the coexistence of orthorhombic (<em>O</em>) and tetragonal (<em>T</em>) phases within the composition range of 0.0 ≤ <em>x</em> ≤ 0.10. The covalent bond between Ti and O atoms was confirmed through charge density analysis using refined structure factors. The Curie temperature (<em>T</em><sub>C</sub>) showed an increasing trend from 71.1 °C to 91.5 °C with the addition of Ca<sup>2+</sup> content. The best electrical properties were observed at <em>x</em> = 0.05, with values of <em>P</em><sub>m</sub> ⁓ 16.56 μC/cm<sup>2</sup>, <em>P</em><sub>r</sub> ⁓ 10.78 μC/cm<sup>2</sup>, <em>E</em><sub>C</sub> ⁓ 3.02 kV/cm, <em>S</em><sub>max</sub> = 0.096 %, and <em>d</em><sub>33</sub>∗ = 355 p.m./V. The compositions exhibited improved ferroelectric and electrostrain properties for <em>x</em> ranging from 0.0 to 0.05, making them promising candidates for lead-free piezoelectric ceramics.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115981"},"PeriodicalIF":2.1,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904001","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
Influence of Mn doping on magneto-thermoelectric properties of spintronic material ZnMnxSn1-xAs2 Mn掺杂对自旋电子材料ZnMnxSn1-xAs2磁热电性能的影响
IF 2.1 4区 物理与天体物理
Solid State Communications Pub Date : 2025-04-30 DOI: 10.1016/j.ssc.2025.115971
Anuj Kumar , Navneet Singh , Aman Kumar , Anjeli Garg , Sandeep Kumar Pundir , Nempal Singh
{"title":"Influence of Mn doping on magneto-thermoelectric properties of spintronic material ZnMnxSn1-xAs2","authors":"Anuj Kumar ,&nbsp;Navneet Singh ,&nbsp;Aman Kumar ,&nbsp;Anjeli Garg ,&nbsp;Sandeep Kumar Pundir ,&nbsp;Nempal Singh","doi":"10.1016/j.ssc.2025.115971","DOIUrl":"10.1016/j.ssc.2025.115971","url":null,"abstract":"<div><div>In present investigation a comprehensive spin-polarized density functional theory (DFT) analysis of Mn-doped ZnSnAs<sub>2</sub> chalcopyrite carried out by utilizing the Full-Potential Linearized Augmented Plane Wave (FP-LAPW) method with Tran-Blaha’s modified Becke-Johnson (TB-mBJ) functional. Electronic, magnetic, and thermoelectric properties of doped ZnMn<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>Sn<span><math><msub><mrow></mrow><mrow><mrow><mo>(</mo><mn>1</mn><mo>−</mo><mi>x</mi><mo>)</mo></mrow></mrow></msub></math></span>As<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> investigated within the doping range <span><math><mrow><mn>0</mn><mo>≤</mo><mi>x</mi><mo>≤</mo><mn>0</mn><mo>.</mo><mn>5</mn></mrow></math></span>. Mn doping at Sn site induces a significant spin magnetic moment, leading to a half-metallic and high-spin ferromagnetic state. With increasing Mn concentration, the majority spin state retains bandgap while the minority spin state behaves like a degenerate semiconductor. This results an overall increase in magnetic moment and making the material promising for spintronic applications. This study also explores thermoelectric properties using Boltzmann transport theory within the constant scattering time approximation. The key thermoelectric parameters, including the Seebeck coefficient (S), electrical conductivity (<span><math><mi>σ</mi></math></span>), and electronic thermal conductivity (<span><math><mi>κ</mi></math></span>) were evaluated as functions of temperature and doping concentrations. Mn doping enhances the thermoelectric performance and we get highest Figure of merit (ZT) nearly 1.2 at 500 K for higher Mn concentrations. Spin-dependent contributions play a crucial role, minority-spin state exhibiting higher specific heat (<span><math><msub><mrow><mtext>C</mtext></mrow><mrow><mi>v</mi></mrow></msub></math></span>) and power factor (PF) values as compared with majority-spin states. These findings suggest that Mn doping not only boosts the spintronic application of Mn doped ZnSnAs<sub>2</sub> but also enhances thermoelectric efficiency of the materials and may be utilized for energy conversion applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115971"},"PeriodicalIF":2.1,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143894807","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
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