Solid State Communications最新文献_第7页

Baric dependence of the rhodium melting point in the macro- and nanocrystal state 宏观和纳米晶体状态下铑熔点的压强依赖性

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-28 DOI: 10.1016/j.ssc.2025.116014

Mahach N. Magomedov

{"title":"Baric dependence of the rhodium melting point in the macro- and nanocrystal state","authors":"Mahach N. Magomedov","doi":"10.1016/j.ssc.2025.116014","DOIUrl":"10.1016/j.ssc.2025.116014","url":null,"abstract":"<div><div>The equation of state (<em>P</em>) as well as the baric dependences of the elastic modulus, thermal expansion coefficient, and melting temperature for rhodium (Rh) macrocrystal have been calculated by an analytical method using the paired Mie–Lennard-Jones interatomic interaction potential. The results showed good agreement with the data known from the literature. Using the same method, the change in the baric dependences of the melting temperature (<em>T</em><sub><em>m</em></sub>) and its pressure derivative (<em>T</em><sub><em>m</em></sub>′(<em>P</em>) = d<em>T</em><sub><em>m</em></sub>/d<em>P</em>) during the transition from a macrocrystal to a nanocrystal of 306 Rh atoms was studied for the first time. It is shown that at all pressures the <em>T</em><sub><em>m</em></sub>(<em>P</em>, <em>N</em>) function decreases with an isomorphic-isobaric decrease in the number of atoms <em>N</em>. It is shown that the <em>T</em><sub><em>m</em></sub>′(<em>P</em>) value for a nanocrystal of 306 Rh atoms is larger at low pressures and smaller at <em>P</em> > 12.74 GPa than the <em>T</em><sub><em>m</em></sub>′(<em>P</em>) value for a macrocrystal.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116014"},"PeriodicalIF":2.1,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144185132","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

Study of interfacial engineering on exchange bias effect in NiO/CoFe2O4 heterostructures NiO/CoFe2O4异质结构中交换偏置效应的界面工程研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-28 DOI: 10.1016/j.ssc.2025.116019

Ambrish Dwivedi , Sanjay Kumar Upadhyay , Keval Gadani , Anil Awasiya , Sourav Chowdhury , Ratnesh Gupta , Sagar Sen

{"title":"Study of interfacial engineering on exchange bias effect in NiO/CoFe2O4 heterostructures","authors":"Ambrish Dwivedi , Sanjay Kumar Upadhyay , Keval Gadani , Anil Awasiya , Sourav Chowdhury , Ratnesh Gupta , Sagar Sen","doi":"10.1016/j.ssc.2025.116019","DOIUrl":"10.1016/j.ssc.2025.116019","url":null,"abstract":"<div><div>In the present work, the magnetic properties of NiO/CoFe<sub>2</sub>O<sub>4</sub> (CFO) bilayers, grown via pulsed laser deposition on Si (100) substrates, have been investigated. The NiO layer thickness has been varied to explore its effect on the structural, magnetic, and electronic properties of the studied bilayer. Structural characterization of the studied compound has been analyzed using X-ray diffraction, X-ray reflectivity, atomic force microscopy, and Raman spectroscopy. An exchange bias effect has been observed in the studied bilayer, and interestingly, it varies with the thickness of the NiO layer due to the formation of an intermixed layer at the NiO/CFO interface. Furthermore, soft X-ray absorption spectroscopy (SXAS) measurement has also been carried out to study the electronic structure, and the obtained data corroborate well with its structural results. The relationship between the thickness of NiO with exchange bias can be understood through the enhanced interfacial exchange coupling between the CFO and NiO layers.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116019"},"PeriodicalIF":2.1,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167278","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

Sensing properties of SF6 decomposition gas sensor based on Ru modified α-AsP: A DFT study Ru改性α-AsP SF6分解气体传感器传感性能的DFT研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-27 DOI: 10.1016/j.ssc.2025.116017

Dongyue Wu , Weizhan Ding , Ji Li , Linxi Zhou

引用次数: 0

Unlocking the potential of TiB5 monolayer as an appealing anode material for magnesium-ion batteries: A first-principles study 释放TiB5单层作为镁离子电池极具吸引力的负极材料的潜力：第一性原理研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-27 DOI: 10.1016/j.ssc.2025.116018

Ying Lin , Xuechou Zhou , Wenjie Chen

{"title":"Unlocking the potential of TiB5 monolayer as an appealing anode material for magnesium-ion batteries: A first-principles study","authors":"Ying Lin , Xuechou Zhou , Wenjie Chen","doi":"10.1016/j.ssc.2025.116018","DOIUrl":"10.1016/j.ssc.2025.116018","url":null,"abstract":"<div><div>Rechargeable magnesium-ion batteries (MIBs) have garnered extensive consideration as an exceptional alternative to lithium-ion batteries due to their high volumetric capacity, suitable reduction potential, good safety and low production cost; nonetheless, the lack of an outstanding anode material has significantly impeded the advancement of MIBs. Herein, we conducted a comprehensive first-principles calculation to assess the potential of a new-developed TiB<sub>5</sub> monolayer as an anode material for MIBs. The projected band structure and density of states calculations reveal that the resulting TiB<sub>5</sub> anode exhibits an intrinsic metallic behavior, primarily due to the B-band. Moreover, Mg ions are stably adsorbed on the TiB<sub>5</sub> anode surface with an adsorption energy of −2.09 eV and a slightly high diffusion barrier of 1.25 eV. Based on the charge density difference, Bader charge, crystal orbital Hamiltonian population (COHP) and crystal orbital bond index (COBI) calculations, it is found the main interaction between Mg and TiB<sub>5</sub> originates from the ionic Mg-B bonds. Remarkably, the TiB<sub>5</sub> anode demonstrates a high specific capacity of 1577.77 mA h/g, a low average open circuit voltage of 0.22 V and a small lattice expansion of 1.30 %, outperforming many reported 2D anodes. Additionally, the TiB<sub>5</sub> anode possesses excellent thermal stability without any Mg dendrite formation. These exceptional attributes highlight the potential of TiB<sub>5</sub> monolayer as a perspective anode material for MIBs.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116018"},"PeriodicalIF":2.1,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167275","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

Investigating storage capacity in optically active perovskite type hydrides XCaH3 (X: Na, Li and Cs) for sustainable hydrogen storage application 研究光活性钙钛矿型氢化物XCaH3 （X: Na， Li和Cs）的储氢容量及其可持续储氢应用

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-23 DOI: 10.1016/j.ssc.2025.116012

Tania Hashmi , Muhammad Rizwan , Muhammad Abaid Ullah , Sayed Shahbaz Ali , S.S.A. Gillani , Ali Ahmed

{"title":"Investigating storage capacity in optically active perovskite type hydrides XCaH3 (X: Na, Li and Cs) for sustainable hydrogen storage application","authors":"Tania Hashmi , Muhammad Rizwan , Muhammad Abaid Ullah , Sayed Shahbaz Ali , S.S.A. Gillani , Ali Ahmed","doi":"10.1016/j.ssc.2025.116012","DOIUrl":"10.1016/j.ssc.2025.116012","url":null,"abstract":"<div><div>The development of hydrogen storage materials is essential for advancing clean energy technologies, particularly in the context of hydrogen fuel cells and renewable energy storage systems. Perovskite hydride materials have garnered considerable interest in light of their unique crystal structure and potential for efficient hydrogen storage. This study investigates the structural, mechanical, electro-optical, and hydrogen storage properties of optically active perovskite hydrides XCaH<sub>3</sub> (X: Na, Li, Cs) by applying first principle calculations with aiming to characterize these materials for optically mechanized hydrogen storage system. Formation energy and elastic constants verify that XCaH<sub>3</sub> materials are thermodynamically and mechanically stable. Calculated B/G ratio and Cauchy pressure values indicate that NaCaH<sub>3</sub> is ductile while LiCaH<sub>3</sub> and CsCaH<sub>3</sub> are brittle. A comparison has been made between the bulk modulus, derivatives, and lattice parameters with the existing published data. Based on the electronic properties of these compounds, they were found to be semiconductors. Analyzing the optical properties of these hydrides has demonstrated that they exhibit high absorption rates in the ultraviolet region. Furthermore, calculated gravimetric hydrogen capacity of NaCaH<sub>3</sub>, LiCaH<sub>3</sub>, and CsCaH<sub>3</sub> is found to be 4.38 wt%, 5.7 wt%, and 1.691 wt% relative to the 4.5 wt% target set by the US Department of Energy<strong>.</strong> This is an enhanced effort to <strong>e</strong>xplore XCaH<sub>3</sub> perovskite hydrides to provide a new direction to hydrogen storage systems.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116012"},"PeriodicalIF":2.1,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144134298","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

Thermal nanoindentation of (3C) silicon carbide 3C-SiC using molecular dynamics simulation 用分子动力学模拟（3C）碳化硅3C- sic的热纳米压痕

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-23 DOI: 10.1016/j.ssc.2025.116013

H. Kourbani, S. Bogtob, A. Samiri, A. Hassani, A. Hasnaoui

引用次数: 0

Ferrimagnetism and hysteresis behavior of a mixed spin ferrimagnetic Blume-Capel Ising system 混合自旋铁磁Blume-Capel - Ising系统的铁磁和磁滞特性

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-23 DOI: 10.1016/j.ssc.2025.116009

Anwar G. Thejeel , Hadey K. Mohamad

引用次数: 0

Synergistic effect of MoO3 conducting nanofillers on dielectric and electrical properties of P(VDF-HFP)-(Ba0.85La0.15)(Fe0.5Nb0.5)0.9625O3 composite films MoO3导电纳米填料对P(VDF-HFP)-(Ba0.85La0.15)(Fe0.5Nb0.5)0.9625O3复合薄膜介电性能和电学性能的协同效应

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-23 DOI: 10.1016/j.ssc.2025.116006

S. Parthasarathy , S. Behera , Srikanta Moharana

{"title":"Synergistic effect of MoO3 conducting nanofillers on dielectric and electrical properties of P(VDF-HFP)-(Ba0.85La0.15)(Fe0.5Nb0.5)0.9625O3 composite films","authors":"S. Parthasarathy , S. Behera , Srikanta Moharana","doi":"10.1016/j.ssc.2025.116006","DOIUrl":"10.1016/j.ssc.2025.116006","url":null,"abstract":"<div><div>This study investigates the synergistic impact of MoO<sub>3</sub> as a conducting nanofiller on poly(vinylidene fluoride-co-hexafluoropropylene)/La<sup>3+</sup> modified barium iron niobate (P(VDF-HFP)-BLFN) composites prepared by the solution casting technique. The dielectric and electrical performance of PVDF-HFP-BLFN-MoO<sub>3</sub> composite films with various weight percentages of MoO<sub>3</sub> content was studied. The structure and microstructure of the PVDF-HFP-BLFN-MoO<sub>3</sub> composite films were analyzed by X-ray diffraction and scanning electron microscopy techniques. The structural analysis verifies the existence of the polymeric electroactive β-phase of the matrix (PVDF-HFP) and the perovskite phase of the integrated ceramics within the matrix. The surface morphology of the synthesized composite exhibits distinct and evenly dispersed particles with little aggregation. A broad frequency range (10<sup>2</sup>–10<sup>6</sup> kHz) was used to assess the dielectric and electrical characteristics of polymer composite films with varying MoO<sub>3</sub> concentrations. The use of MoO<sub>3</sub> markedly improved the dielectric constant while preserving a reasonably low dielectric loss, with optimum performance seen at 10 wt% ceramic content. The composites demonstrated frequency-dependent dielectric properties, ascribed to Maxwell-Wagner relaxation at lower frequencies and α-relaxation of PVDF-HFP at elevated frequencies. The increased characteristics arise from the synergistic interaction of the polymer matrix, ceramic particles, and conductive nanofiller, resulting in an improved interfacial polarization effect. These results show the capability of these nanocomposites for advanced energy storage and harvesting applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116006"},"PeriodicalIF":2.1,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144221741","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

SHI irradiation-induced structural modification led to decrease in optical band gap of hexagonal CdTe nanocrystals: Photochromatic analysis hints for green LED application SHI辐照诱导的结构修饰导致六方CdTe纳米晶体光学带隙减小：绿色led应用的光色分析提示

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-23 DOI: 10.1016/j.ssc.2025.116000

Sanghita Basak , Debojyoti Nath , Fouran Singh , Ratan Das

{"title":"SHI irradiation-induced structural modification led to decrease in optical band gap of hexagonal CdTe nanocrystals: Photochromatic analysis hints for green LED application","authors":"Sanghita Basak , Debojyoti Nath , Fouran Singh , Ratan Das","doi":"10.1016/j.ssc.2025.116000","DOIUrl":"10.1016/j.ssc.2025.116000","url":null,"abstract":"<div><div>This study aims to prepare CdTe nanocrystals using wet-chemical method. XRD pattern confirms the hexagonal nature of the prepared nanocrystals. SHI-irradiation experiments have been performed at different fluences to study the SHI irradiation-influenced modification in structural and optical properties. TEM study confirms an increase in particle size after SHI irradiation. Further, different Williamson-Hall analysis models, the Size Strain Plot method, and the Halder-Wagner method have been used to determine the SHI-irradiated modification on the structural properties of prepared nanocrystals. Optical properties of synthesized and SHI-irradiated nanocrystals have been studied using Uv–Vis and photoluminescence analysis, which confirms modification in bandgap after SHI irradiation. Finally, the CIE diagram has been plotted for the color coordinates of synthesized hexagonal CdTe and SHI-irradiated CdTe nanocrystals at different fluences. All the studies confirm that the SHI irradiation can modify the structural and optical properties; hence, can be applied for different display purposes.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116000"},"PeriodicalIF":2.1,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144177488","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 magnetocrystalline anisotropy on the stability of skyrmions within a CrI3 monolayer under the application of an electric field 在电场作用下，磁晶各向异性对CrI3单层内skyrmions稳定性的影响

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-22 DOI: 10.1016/j.ssc.2025.115994

H. Garbouj , M. Debbichi , S. El Hog , M. Said

{"title":"Impact of magnetocrystalline anisotropy on the stability of skyrmions within a CrI3 monolayer under the application of an electric field","authors":"H. Garbouj , M. Debbichi , S. El Hog , M. Said","doi":"10.1016/j.ssc.2025.115994","DOIUrl":"10.1016/j.ssc.2025.115994","url":null,"abstract":"<div><div>We employ a combined approach of density functional theory (DFT) and Monte Carlo simulations to explore how the magnetic properties of a single layer of chromium tri-iodide (CrI<sub>3</sub>) are influenced by the application of an out-plane electric field. At T=0 K, Our simulations suggest that for an electric field of 2 V/nm applied perpendicularly to the crystal plane, along with a moderate magnetic field, spontaneously induces a skyrmionic ground state. Furthermore, the dependence of magnetocrystalline anisotropy and Dzyaloshinskii-Moriya interaction on the creation of skyrmions by manipulation of the external magnetic field is systematically discussed. In the presence and absence of magnetocrystalline anisotropy (K<span><math><msub><mrow></mrow><mrow><mi>a</mi></mrow></msub></math></span>), we found that skyrmions emerge and vanish at distinct and well-defined values of the applied magnetic field (B). In addition, we examined the impact of B on the skyrmions properties, such as the skyrmion number (N<span><math><msub><mrow></mrow><mrow><mi>s</mi><mi>k</mi><mi>y</mi></mrow></msub></math></span>) and size (d). Finally, we created a map showing the different magnetic states of CrI<sub>3</sub> at various temperatures and magnetic field strengths. Overall, we found that simulating skyrmions in the CrI<sub>3</sub> is energetically more favorable when magnetocrystalline anisotropy constant is considered.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115994"},"PeriodicalIF":2.1,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154769","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