Solid State Communications最新文献

{"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 ,&nbsp;Wei Liu ,&nbsp;Martin Koeckerling ,&nbsp;Guang-Hui Rao ,&nbsp;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}

{"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 ,&nbsp;Ola A. Abu Ali ,&nbsp;Dalia I. Saleh ,&nbsp;M. Awais ,&nbsp;Munawar Iqbal ,&nbsp;Muzammal Aslam ,&nbsp;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 (<em>XRD</em>) 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}

{"title":"Enhanced energy storage in supercapacitors: A study of chemically synthesized ferrite nanoparticles with optimized electrochemical properties","authors":"Kashmiri A. Khamkar ,&nbsp;Umesh V. Shembade ,&nbsp;Sabah Ansar ,&nbsp;Kulurumotlakatla Dasha Kumar ,&nbsp;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}

{"title":"Solvothermal synthesis, structure and characterizations of multinary metals selenidoarsenate","authors":"Li Wang,&nbsp;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) (<strong>1</strong>) 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 <strong>1</strong> and suggested that <strong>1</strong> had a fast response and good reproducibility. The UV–visible diffuse reflection spectra was tested and the band gap of <strong>1</strong> was 2.24 eV, which indicated that this compound has potential semiconductor properties. It is worth that we investigated the photodegradation efficiency of <strong>1</strong> and it value reached 71.4 % when degrading crystal violet (CV) after irradiation, which suggested that <strong>1</strong> 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}

{"title":"Investigations of structural and thermoelectric properties of Cu2Se and Cu2-xAgxSe alloys","authors":"A.M. Adam ,&nbsp;A.K. Diab ,&nbsp;Zainab M.H. El-Qahtani ,&nbsp;P. Petkov ,&nbsp;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. Cu_2-xAg_xSe 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 Cu_1.95Ag_0.05Se 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}

{"title":"Structural, magnetic and cryogenic magnetocaloric properties in Gd2CrFeO6 ceramic oxide","authors":"Weixiang Hao ,&nbsp;Ran Ji ,&nbsp;Liyao Zhu ,&nbsp;Silu Huang ,&nbsp;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 (<em>RE</em>)-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 (<em>B</em>-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}

{"title":"Exploring theoretical aspects of the thermodynamic, optical, structural, and electronic characteristics of the zinc-blend BexZn1-xO ternary alloy","authors":"R. Moussa ,&nbsp;F. Semari ,&nbsp;Y. Seksak ,&nbsp;H. Meradji ,&nbsp;R. Khenata ,&nbsp;S. Bin-Omran ,&nbsp;W. Ahmed ,&nbsp;Bakhtiar Ul Haq ,&nbsp;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 Be_<em>x</em>Zn_1-<em>x</em>O ternary alloys. The determination of the structural properties was carried out through three distinct approximations. These properties demonstrated a nonlinear variation with the composition (<em>x</em>). 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, Be_0.25Zn_0.75O, Be_0.5Zn_0.5O, and Be_0.75Zn_0.25O are direct bandgap semiconductors. The BeO compound is an insulator. Optical parameters, including the dielectric constant <em>ε</em>(ω), refractive index <em>n</em>(ω), and energy loss <em>L</em>(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}

{"title":"Effect of molar concentration on optoelectronic properties of α-Fe2O3 nanoparticles for n-α-Fe2O3/p-Si junction diode application","authors":"P. Rajapandi ,&nbsp;G. Viruthagiri ,&nbsp;M. Vidhya ,&nbsp;R. Marnadu ,&nbsp;S. Arunkumar ,&nbsp;K.S. Mohan ,&nbsp;Mohd Shkir ,&nbsp;M.A. Sayed","doi":"10.1016/j.ssc.2025.115873","DOIUrl":"10.1016/j.ssc.2025.115873","url":null,"abstract":"<div><div>In present work, we have synthesized rhombohedral structured α-Fe₂O₃nanoparticles (NPs) for various molar concentrations of 0.25, 0.5, 0.75, and 1 M using a simple co-precipitate method. X-ray diffraction analysis confirmed the formation of single-phase rhombohedral structured α-Fe₂O₃ NPs. The Raman characteristic peaks exhibited a pure hematite phase, free from iron oxide and iron hydroxide impurities. FESEM showed a randomly oriented submicron-sized and irregular granular-shaped structure of the synthesized α-Fe₂O₃ NPs. The fundamental stretching and bending vibrations of chemical bonds and the existence of Fe‒O functional groups were captured from FTIR spectra. UV–Vis absorption spectral analysis showed a strong optical absorption peak in the range of 350–550 nm. Moreover, A minimum optical band gap of 1.7 eV as observed for 1 M of α-Fe₂O₃ NPs. Based on the beat outcome, we have developed n-α-Fe₂O₃/p-Si junction diode for 1 M of α-Fe₂O₃ NPs and measured forward and reverse current values for dark and light environments. Remarkably, the diode exhibited a lower ideality factor of 3.4 under light exposure. Furthermore, the n-α-Fe₂O₃/p-Si diode demonstrated a quantum efficiency of 38 % and a detectivity of 1.98 × 10¹⁰ Jones, indicating its potential for future optoelectronic applications. These results strongly support the suitability of the fabricated n-α-Fe₂O₃/p-Si diode for advanced optoelectronic technologies.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115873"},"PeriodicalIF":2.1,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Performance analysis of hybrid perovskite solar cells based on different halide ions","authors":"Deepak Kumar Jarwal ,&nbsp;Ashwini Kumar Mishra ,&nbsp;Chandani Dubey ,&nbsp;Amit Kumar Jangid ,&nbsp;Kshitij Bhargava ,&nbsp;Rahul Kumar ,&nbsp;Gopal Rawat","doi":"10.1016/j.ssc.2025.115863","DOIUrl":"10.1016/j.ssc.2025.115863","url":null,"abstract":"<div><div>Here, we have investigated the importance of incorporating different halide ions into perovskite material of the hybrid perovskites-based solar cells (PSCs) and optimized the performance of the PSCs. The n-i-p device structure as FTO/ZnOS/Absorber Material/CuO/Au, is used, where ZnOS and CuO are as electron and hole transport layers, respectively. The <span><math><mrow><msub><mi>CH</mi><mn>3</mn></msub><msub><mi>NH</mi><mn>3</mn></msub><mi>Pb</mi><msub><mi>I</mi><mn>3</mn></msub></mrow></math></span>, <span><math><mrow><msub><mi>CH</mi><mn>3</mn></msub><msub><mi>NH</mi><mn>3</mn></msub><mi>Pb</mi><msub><mi>Br</mi><mn>3</mn></msub></mrow></math></span> and <span><math><mrow><msub><mi>CH</mi><mn>3</mn></msub><msub><mi>NH</mi><mn>3</mn></msub><mi>Pb</mi><msub><mi>I</mi><mrow><mn>3</mn><mo>−</mo><mi>x</mi></mrow></msub><msub><mi>Cl</mi><mi>x</mi></msub></mrow></math></span> are exploited as an active absorber layer, with FTO and Au serving as front and back electrodes, respectively. Their performance is studied in terms of various performance parameters viz. Open-circuit voltage (<span><math><mrow><msub><mi>V</mi><mrow><mi>o</mi><mi>c</mi></mrow></msub></mrow></math></span>), short circuit current density (<span><math><mrow><msub><mi>J</mi><mrow><mi>s</mi><mi>c</mi></mrow></msub></mrow></math></span>), fill factor (FF), and power conversion efficiency (PCE). Moreover, a systematic optimization and comparison is conducted to examine the influence of perovskite layer thickness, defect density, and operating temperature on the performance of the three modelled PSCs. The results show that <span><math><mrow><msub><mrow><mi>C</mi><mi>H</mi></mrow><mn>3</mn></msub><msub><mrow><mi>N</mi><mi>H</mi></mrow><mn>3</mn></msub><mi>P</mi><mi>b</mi><msub><mi>I</mi><mn>3</mn></msub></mrow></math></span> based hybrid PSC exhibits the highest PCE of 25.34 % at 300 K, at a defect density of <span><math><mrow><msup><mn>10</mn><mn>15</mn></msup><msup><mrow><mi>c</mi><mi>m</mi></mrow><mrow><mo>−</mo><mn>3</mn></mrow></msup></mrow></math></span> and absorber layer thickness of 600 nm. The other key parameters include V_OC of 1.15 V, <span><math><mrow><msub><mi>J</mi><mi>SC</mi></msub></mrow></math></span> of 25.21 mA/cm² and FF of 86.4 %. The analysis highlights the importance of numerical simulations in predicting the influence of structural variations in perovskite materials on performance of the hybrid perovskite solar cells.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"399 ","pages":"Article 115863"},"PeriodicalIF":2.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tailoring the pressure effects to optimize the global structural features in Ni80P20 metallic glasses","authors":"Aasma Tabassum ,&nbsp;Tahir Bashir ,&nbsp;YuWei Liu ,&nbsp;Amir Muhammad ,&nbsp;Maryam Sardar ,&nbsp;Zaka Ullah ,&nbsp;Ying Liu ,&nbsp;Jing Tao Wang","doi":"10.1016/j.ssc.2025.115872","DOIUrl":"10.1016/j.ssc.2025.115872","url":null,"abstract":"<div><div>The Ni₈₀P₂₀ metallic glass, with a relatively simple composition, was used as a model material to study the effect of pressure on the local atomic structure during the cooling process using molecular dynamics simulations. Various structural analysis methods, including Voronoi tessellation, revealed that increasing pressure (0–15 GPa) significantly enhances glass transition temperature (T_g) from 565 K to 765 K and promotes densification of the atomic structure. While the global short-range order, such as icosahedral configurations, remains relatively stable, pressure-induced shifts in atomic coordination and packing efficiency suggest enhanced mechanical strength and thermal stability. These findings provide valuable insights into the kinetics of amorphous phase formation of the alloy melt under pressure and its potential for optimizing the physical properties of metallic glasses for various applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"398 ","pages":"Article 115872"},"PeriodicalIF":2.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377584","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}