Solid State Communications最新文献_第3页

Influence of cooling rate and pressure on the structural and mechanical properties of iron monatomic metallic glasses: Insights from molecular dynamics simulations

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-22 DOI: 10.1016/j.ssc.2025.115883

Soufiane Assouli , Tarik El Hafi , Abdelaziz El Kharraz , Omar Bajjou , Youssef Lachtioui

{"title":"Influence of cooling rate and pressure on the structural and mechanical properties of iron monatomic metallic glasses: Insights from molecular dynamics simulations","authors":"Soufiane Assouli , Tarik El Hafi , Abdelaziz El Kharraz , Omar Bajjou , Youssef Lachtioui","doi":"10.1016/j.ssc.2025.115883","DOIUrl":"10.1016/j.ssc.2025.115883","url":null,"abstract":"<div><div>This study investigates the mechanical and structural properties of monoatomic iron metallic glasses under various cooling rates and pressures using a molecular dynamics simulation combined with the Embedded Atom Method potential. By examining the glass transition temperature (Tg), radial distribution function, and Voronoi polyhedra analysis, we elucidated the influence of cooling rates (5 × 1012 - 5 × 1013 K/s) and pressures (0–10 GPa) on the formation and stability of the amorphous structure. Our results demonstrate that higher cooling rates and pressures lead to increased Tg, enhanced atomic packing density, and more pronounced short-range order. Mechanical tensile tests reveal that ultimate strength decreases with increasing cooling rates, while elastic modulus shows a complex dependency on both cooling rate and pressure. The findings provide insights into optimizing the mechanical properties of bulk metallic glasses through controlled cooling and pressure application.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115883"},"PeriodicalIF":2.1,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480623","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

Ultra-wideband and multi-frequency switchable terahertz absorber based on vanadium dioxide

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-21 DOI: 10.1016/j.ssc.2025.115884

Nan Liu , Zhen Cui , Shuang Zhang , Lu Wang

{"title":"Ultra-wideband and multi-frequency switchable terahertz absorber based on vanadium dioxide","authors":"Nan Liu , Zhen Cui , Shuang Zhang , Lu Wang","doi":"10.1016/j.ssc.2025.115884","DOIUrl":"10.1016/j.ssc.2025.115884","url":null,"abstract":"<div><div>In this paper, we present the design of a switchable terahertz absorber utilizing vanadium dioxide. The switching from ultra-wideband absorption to multi-frequency absorption is achieved by adjusting the conductivity of vanadium dioxide via temperature control. Specifically, when the conductivity of vanadium dioxide reaches 2 × 105 S/m, the absorber demonstrates an absorption bandwidth of 5.4 THz, attaining an absorption rate of 90 % within the frequency range of 3.9–9.3 THz. Conversely, at a conductivity level of 20 S/m, the absorber exhibits multi-frequency absorption characteristics, revealing four distinct absorption peaks, all surpassing 90 % absorption rate, located at frequencies of 3.94 THz, 7.06 THz, 7.7 THz, and 9.16 THz, respectively. To elucidate the underlying physical mechanisms governing these two distinct absorption modes, we utilize the impedance matching theory and conduct an analysis of the distribution of electric field energy. Furthermore, the absorber exhibits polarization insensitivity and maintains effective performance across a broad spectrum of incident angles, ranging from 0 to 80°. The designed absorber holds significant potential for application in terahertz imaging, sensor technology, communications, and the optoelectronic industry.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115884"},"PeriodicalIF":2.1,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471720","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

First-principles study of KVTe half-Heusler alloy for spintronic and thermoelectric applications

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-21 DOI: 10.1016/j.ssc.2025.115878

B. Syad , A. Samih , A. Ben Zoubir , M. Es-Semyhy , R. El Fdil , E. Salmani , Z. Fadil , Fohad Mabood Husain , Chaitany Jayprakash Raorane

引用次数: 0

The elastic properties and strain effects on crystal structures and bandgap of MZnOS (M = Ca, Sr): A first-principles study

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-20 DOI: 10.1016/j.ssc.2025.115881

Yuan-Lei Zheng , Wei Liu , Martin Koeckerling , Guang-Hui Rao , Jing-Tai Zhao

{"title":"The elastic properties and strain effects on crystal structures and bandgap of MZnOS (M = Ca, Sr): A first-principles study","authors":"Yuan-Lei Zheng , Wei Liu , Martin Koeckerling , Guang-Hui Rao , Jing-Tai Zhao","doi":"10.1016/j.ssc.2025.115881","DOIUrl":"10.1016/j.ssc.2025.115881","url":null,"abstract":"<div><div>Mechanoluminescence (ML) materials, such as CaZnOS and SrZnOS, show great potential in lighting, sensors, and wearable devices. Despite advances in the understanding of these materials, a detailed first-principles study of the strain-stress relationship and the effects on crystal structure and bandgap is lacking. In this work, we use first-principles calculations to investigate the elastic properties, crystal structure deformations, and bandgap responses under strain for both MZnOS (M = Ca, Sr) compounds, filling the gap in the current understanding of these materials. The elastic constants, elastic modulus and Poisson's ratios for SrZnOS and CaZnOS are calculated, revealing the influence of hydrostatic pressure on lattice parameters and atomic distances. Notably, the stress-strain relationships of SrZnOS and CaZnOS reveal distinct mechanical behaviors under tensile and compressive strains along the [100] and [001] directions. Under compressive stress, especially along the [100] direction, CaZnOS shows greater compressive resistance than SrZnOS. Additionally, strain-induced bandgap variations are observed: SrZnOS exhibits a decrease in bandgap with increasing strain, while CaZnOS shows an initial bandgap widening under compressive loading (0–2.34 GPa) along the [001] direction. Our findings provide new insights into the mechanical and electronic behavior of MZnOS materials, which are crucial for their application in mechanoluminescence and other related fields.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115881"},"PeriodicalIF":2.1,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143453467","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 the efficiency and current density by structural modifications and conduction band shifting in lead-based mixed halide perovskite solar cells

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-20 DOI: 10.1016/j.ssc.2025.115885

M.S. Hasan , Ola A. Abu Ali , Dalia I. Saleh , M. Awais , Munawar Iqbal , Muzammal Aslam , Muhammad Imran Irfan

{"title":"Enhanced the efficiency and current density by structural modifications and conduction band shifting in lead-based mixed halide perovskite solar cells","authors":"M.S. Hasan , Ola A. Abu Ali , Dalia I. Saleh , M. Awais , Munawar Iqbal , Muzammal Aslam , Muhammad Imran Irfan","doi":"10.1016/j.ssc.2025.115885","DOIUrl":"10.1016/j.ssc.2025.115885","url":null,"abstract":"<div><div>The pure and Mn-doped CsPbIBr2 perovskite films are synthesized by sol-gel spin coating. X-ray diffraction (XRD) of pure and Mn-doped films shows the pure cubic perovskite phase in both samples, with Mn-doped samples having higher crystallinity and bigger crystal sizes (21.7–35.9 nm). Mn-doping induces lattice modifications, influencing the material's structural homogeneity and optoelectronic properties. UV–Vis spectroscopy elucidates the energy band gaps, showcasing a reduced bandgap (2.141–2.079 eV) in Mn-doped CsPbIBr2. The J-V measurement of the device with configuration FTOTiO2Mn-CsPbIBr2HTLAu shows an efficiency of 10.42 %. To further improve the device performance, we use Mn-WO3 ETL with TiO2. XRD and Raman spectroscopic characterization declared a significant crystallinity of the 4 % Mn-WO3 electron transport layer in monoclinic phase. The UV–vis spectroscopy analysis of Mn-WO3 fabricated which has wider bandgap promote charge carrier mobility and stability, whereas, low refractive index and dielectric constants decrease light reflection and absorption losses, thus solar cells efficiency improved. The current-density voltage (J-V) measurement of the final device with configuration FTOTiO2Mn-WO3Mn-CsPbIBr2HTLAu shows the efficiency of 12.75 % owing to better charge carrier extraction and decreased recombination losses. This in-depth review elucidates the origins of losses in perovskite solar cells and highlights the scope of improving efficiency by engineering materials and devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115885"},"PeriodicalIF":2.1,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509148","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 energy storage in supercapacitors: A study of chemically synthesized ferrite nanoparticles with optimized electrochemical properties

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-19 DOI: 10.1016/j.ssc.2025.115880

Kashmiri A. Khamkar , Umesh V. Shembade , Sabah Ansar , Kulurumotlakatla Dasha Kumar , Sandeep B. Wategaonkar

{"title":"Enhanced energy storage in supercapacitors: A study of chemically synthesized ferrite nanoparticles with optimized electrochemical properties","authors":"Kashmiri A. Khamkar , Umesh V. Shembade , Sabah Ansar , Kulurumotlakatla Dasha Kumar , Sandeep B. Wategaonkar","doi":"10.1016/j.ssc.2025.115880","DOIUrl":"10.1016/j.ssc.2025.115880","url":null,"abstract":"<div><div>Herein, the impact of pH on ferrite nanoparticles (NPs) was synthesized using a simple chemical co-precipitation process and utilized for supercapacitor (SCs) applications. The X-ray analysis supports the stable phase formation and cubic crystal structures of Fe3O4-NPs. The scanning electron microscope (SEM) revealed irregular and non-uniformly shaped (NPs) signifying the important role in electrochemistry. Further, Fourier transform infrared and Raman spectroscopy confirm the presence of various functional groups and the stretching-bending vibrations between Fe–O, and O–O bonds, respectively. In addition to this, the X-ray photoelectron spectroscopy (XPS) reveals the presence of various oxidation states of the Fe in the prepared Fe3O4 NPs. Additionally, the specific surface area (SSA) and pore size of prepared Fe3O4 (pH-12) were determined using N2 adsorption/desorption and it shows the SSA of 33.45 m2/g, and the average pore radius of 11.23 nm, respectively. Additionally, the electrochemical measurements of the prepared electrodes were examined using an electrode cell system in 1 M KOH electrolyte. Among all samples, the Fe3O4 (pH-12) shows better electrochemical properties such as a high specific capacitance and capacity values of 520 F/g (57 mAh/g) at 5 mA/cm2. Further, the Fe3O4 (pH-12) sample exhibits better capacitance retention of 84 % over 4000 CV cycles. In addition to this, the fabricated device shows better electrochemical properties in terms of energy and power densities of 12 Wh/kg and 700 W/kg at 3 mA/cm2 with 88 % retention over 3000 cycles. Therefore, this study explores the better electrochemical analysis for Fe3O4 NPs in SCs applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115880"},"PeriodicalIF":2.1,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480625","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

Solvothermal synthesis, structure and characterizations of multinary metals selenidoarsenate

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-19 DOI: 10.1016/j.ssc.2025.115879

Li Wang, Menghe Baiyin

{"title":"Solvothermal synthesis, structure and characterizations of multinary metals selenidoarsenate","authors":"Li Wang, Menghe Baiyin","doi":"10.1016/j.ssc.2025.115879","DOIUrl":"10.1016/j.ssc.2025.115879","url":null,"abstract":"<div><div>In recent years, more and more researchers have begun to explore in depth due to the potential application of chalcogenidometallates in the field of photocatalysis. In this study, a multinary metals selenidoarsenate [Ni(1,2-dap)3][HgAs2Se4] (1,2-dap = 1,2-diaminopropane) (1) was synthesized by solvothermal method. It was a one-dimensional (1-D) chain structure and consisted of transition metal complex [Ni(1,2-dap)3]2+ and [HgAs2Se4]2- anionic chain, in which the [HgAs2Se4]2- anionic chain were composed of [HgSe4] tetrahedra and As24+ dimers by As-Se bond. We studied the photoelectric performance of compound 1 and suggested that 1 had a fast response and good reproducibility. The UV–visible diffuse reflection spectra was tested and the band gap of 1 was 2.24 eV, which indicated that this compound has potential semiconductor properties. It is worth that we investigated the photodegradation efficiency of 1 and it value reached 71.4 % when degrading crystal violet (CV) after irradiation, which suggested that 1 had excellent photocatalytic performance. In addition, other properties have been investigated.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115879"},"PeriodicalIF":2.1,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143465390","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

Investigations of structural and thermoelectric properties of Cu2Se and Cu2-xAgxSe alloys

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-18 DOI: 10.1016/j.ssc.2025.115877

A.M. Adam , A.K. Diab , Zainab M.H. El-Qahtani , P. Petkov , M. Ataalla

{"title":"Investigations of structural and thermoelectric properties of Cu2Se and Cu2-xAgxSe alloys","authors":"A.M. Adam , A.K. Diab , Zainab M.H. El-Qahtani , P. Petkov , M. Ataalla","doi":"10.1016/j.ssc.2025.115877","DOIUrl":"10.1016/j.ssc.2025.115877","url":null,"abstract":"<div><div>An easy and promising avenue to recover waste heat is about to be opened by thermoelectric power materials. Cu2Se and based thermoelectric materials were synthesized and investigated in this piece of work. The thermoelectric properties of Cu2Se were successfully tailored with an additive of Ag-traces. Cu2-xAgxSe alloys (x = 0.01, 0.03, 0.05) were synthesized via simple melting at 1200 K. It was found that the addition of Ag-doping resulted in significant decrease of the electrical conductivity along with an increase of the Seebeck coefficient due to the presence of point-defects and the phonon scattering. The thermoelectric power factor was calculated and found at interesting values at high temperatures. The highest power factor was recorded at 60 μW/m.K2, observed for the measuring temperature of 473 K. Electronic thermal conductivity was significantly reduced because of the scattering due to Ag-doping and presence of defects. Also, existence of secondary phase helped to reduce the lattice and the total thermal conductivity. Finally, increased ZT was achieved for the Ag-doped alloys. The findings of this work showed that the maximum ZT value is achieved for Cu1.95Ag0.05Se material at 0.03, obtained at 473 K.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115877"},"PeriodicalIF":2.1,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143453554","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, magnetic and cryogenic magnetocaloric properties in Gd2CrFeO6 ceramic oxide

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-17 DOI: 10.1016/j.ssc.2025.115876

Weixiang Hao , Ran Ji , Liyao Zhu , Silu Huang , Yikun Zhang

{"title":"Structural, magnetic and cryogenic magnetocaloric properties in Gd2CrFeO6 ceramic oxide","authors":"Weixiang Hao , Ran Ji , Liyao Zhu , Silu Huang , Yikun Zhang","doi":"10.1016/j.ssc.2025.115876","DOIUrl":"10.1016/j.ssc.2025.115876","url":null,"abstract":"<div><div>The magnetocaloric effect (MCE) in various rare earths (RE)-containing ceramic oxides were intensively investigated currently, attempted to acquire suitable magnetic solids for cryogenic magnetic cooling application and in-depth understand their inherent magneto-physical characters. We herein determined the structural, magnetic, and cryogenic magnetocaloric properties of Gd2CrFeO6 ceramic oxides. Our investigations indicate that the Gd2CrFeO6 ceramic oxide is crystallized with an orthorhombic double-perovskite type (B-site dis-ordered) structure and possesses an antiferromagnetic transition around ∼2.7 K. The constituent elementals in present Gd2CrFeO6 are uniformly distributed from micrometer to nanometer scales and mainly presented with the valence states of Gd3+, Fe3+, Cr3+, and O2−, respectively. Notable cryogenic MCE in present Gd2CrFeO6 has been realized. The maximum magnetic entropy changes and refrigerant capacity of Gd2CrFeO6 ceramic oxide with magnetic field variations of 0–2/0–5 T reach 10.33/34.34 J/kgK and 55.85/239.96 J/kg, respectively. These values are at comparable to most acquired rare earth-containing materials with remarkable cryogenic MCEs, making present Gd2CrFeO6 ceramic oxide attractive for practical cooling applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115876"},"PeriodicalIF":2.1,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444138","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 theoretical aspects of the thermodynamic, optical, structural, and electronic characteristics of the zinc-blend BexZn1-xO ternary alloy

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-02-13 DOI: 10.1016/j.ssc.2025.115874

R. Moussa , F. Semari , Y. Seksak , H. Meradji , R. Khenata , S. Bin-Omran , W. Ahmed , Bakhtiar Ul Haq , A. Abdiche

{"title":"Exploring theoretical aspects of the thermodynamic, optical, structural, and electronic characteristics of the zinc-blend BexZn1-xO ternary alloy","authors":"R. Moussa , F. Semari , Y. Seksak , H. Meradji , R. Khenata , S. Bin-Omran , W. Ahmed , Bakhtiar Ul Haq , A. Abdiche","doi":"10.1016/j.ssc.2025.115874","DOIUrl":"10.1016/j.ssc.2025.115874","url":null,"abstract":"<div><div>This study was conducted using density functional theory (DFT) to examine the impact of the Be concentration on the thermodynamic, optoelectronic, and structural properties of cubic BexZn1-xO ternary alloys. The determination of the structural properties was carried out through three distinct approximations. These properties demonstrated a nonlinear variation with the composition (x). Additionally, the band structures of both the alloys and binary compounds were determined via the TB-mBJ potential for predicting the electronic properties. The obtained results reveal that ZnO, Be0.25Zn0.75O, Be0.5Zn0.5O, and Be0.75Zn0.25O are direct bandgap semiconductors. The BeO compound is an insulator. Optical parameters, including the dielectric constant ε(ω), refractive index n(ω), and energy loss L(ω), were calculated and analyzed. Finally, the quasi harmonic Debye model was used to assess the specific thermodynamic characteristics of the alloys. The results presented in this study could prove valuable for advancing research in optoelectronic applications and power electronic devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115874"},"PeriodicalIF":2.1,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429888","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