Brazilian Journal of Physics最新文献_第3页

Quantum Insights into Hydrogen Storage and Optoelectronic Performance in Selenadiazoles: A DFT-Driven Approach to Future Innovations 硒二唑中储氢和光电子性能的量子洞察：未来创新的dft驱动方法

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-05-07 DOI: 10.1007/s13538-025-01786-x

N. M. A. Hadia, M. F. Hasaneen, Muhammad Irfan, H. M. H. Zakaly

{"title":"Quantum Insights into Hydrogen Storage and Optoelectronic Performance in Selenadiazoles: A DFT-Driven Approach to Future Innovations","authors":"N. M. A. Hadia, M. F. Hasaneen, Muhammad Irfan, H. M. H. Zakaly","doi":"10.1007/s13538-025-01786-x","DOIUrl":"10.1007/s13538-025-01786-x","url":null,"abstract":"<div>The structural, opto-electronic, hydrogen storage, and mechanical properties of H8C3N2X(X = S, Se) were investigated using the density functional theory and the Wien2k code, which is based on the full potential linearized augmented plane wave method. The formation energy has confirmed the stability by − 2.58 eV and − 3.69 eV, respectively. The phonon dispersion analysis confirms the systems’ dynamical stability through the fundamental modes observed in the phonon spectrum. The band gap of the examined material was adjusted for application in renewable energy devices, ranging from 2.0 to 1.8 eV. The optical properties, such as dielectric function, absorption coefficient, refractive index, and reflectivity, were calculated from 0 to 14 eV. The particular electronic states that contribute to the band structure are highlighted by a density of states analysis for selenadiazoles; H-p, X-s/p, N-s/p, and C-s orbitals mainly shape the valence and conduction band, showing semiconducting nature of H8C3N2X(X = S, Se). The charge density distribution was used to evaluate the nature of chemical bonds, revealing a mixed-bond semiconductor with low ionicity and high covalence. The mechanical properties of compounds are also examined to meet the Born stability criteria. The Cauchy pressure and Pugh criteria found these materials brittle and hard, as observed by elastic anisotropy. In the low-energy range, all-optical properties are shown to be appropriate for storing hydrogen. Furthermore, the gravimetric ratios of 4.2 wt% and 3.0 wt% indicated that all the compounds are acceptable for long-term hydrogen storage as a fuel and might significantly contribute to a wide range of power and transportation applications.</div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 4","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143919038","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 Systematic Study of the Structural, Electronic and Optical Properties of 3d, 4d and 5d Binary Transition Metal Arsenides TMAs2 (TM = Fe, Ru, Os) 三维、四维和五维二元过渡金属砷化物TMAs2 （TM = Fe, Ru, Os）结构、电子和光学性质的系统研究

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-05-05 DOI: 10.1007/s13538-025-01782-1

M. Musa Saad H.-E., B. O. Alsobhi, A. Almeshal

{"title":"A Systematic Study of the Structural, Electronic and Optical Properties of 3d, 4d and 5d Binary Transition Metal Arsenides TMAs2 (TM = Fe, Ru, Os)","authors":"M. Musa Saad H.-E., B. O. Alsobhi, A. Almeshal","doi":"10.1007/s13538-025-01782-1","DOIUrl":"10.1007/s13538-025-01782-1","url":null,"abstract":"<div>The transition metal arsenides TMAs2 are one of the most inorganic materials, which have been explored intensively in recent decades due to their amazing properties and potential applicatioSns in semiconductor technology. For this motive, we are interested in investigating the structural, electronic, and optical properties of the 3d, 4d, and 5d based arsenides TMAs2 (TM = Fe, Ru, Os) using the FP-APLW method. The equilibrium parameters reveal that TMAs2 crystallize in an orthorhombic structure (Pnnm). The thermodynamic stability of TMAs2 has been confirmed by their formation energy (({E}_{f})) and cohesive energy (({E}_{c})). Band structures depicted that TMAs2 have semiconductor nature with a narrow bandgap of 0.263 eV (FeAs2), 0.481 eV (RuAs2), and 0.606 eV (OsAs2). The calculated DOSs reveal that the Fe-3d, Ru-4d and Os-5d orbitals have the most dominant contribution at the top of valence bands close to EF. In addition, TMAs2 show amazing optical responses like high absorption, conductivity, and refractivity in the visible light range. Importantly, the present results underscore the potential and suitability of semiconductors TMAs2 for optoelectronics and spintronics applications.</div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 4","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908604","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

QCD Sum Rules for the Vertex (eta _c D^* D^*) 顶点的QCD和规则 (eta _c D^* D^*)

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-05-05 DOI: 10.1007/s13538-024-01631-7

B. Osório Rodrigues, M. E. Bracco, C. M. Zanetti, A. Cerqueira Jr.

引用次数: 0

Latin American Strategy Forum for Research Infrastructure (III LASF4RI Contribution) 拉丁美洲研究基础设施战略论坛（III LASF4RI贡献）

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-05-02 DOI: 10.1007/s13538-025-01778-x

A. C. Aguilar, A. Bashir, J. J. Cobos-Martínez, A. Courtoy, B. El-Bennich, D. de Florian, T. Frederico, V. P. Gonçalves, M. Hentschinski, R. J. Hernández-Pinto, G. Krein, M. V. T. Machado, J. P. B. C. de Melo, W. de Paula, R. Sassot, F. E. Serna, Supporting authors outside Latin America:

{"title":"Latin American Strategy Forum for Research Infrastructure (III LASF4RI Contribution)","authors":"A. C. Aguilar, A. Bashir, J. J. Cobos-Martínez, A. Courtoy, B. El-Bennich, D. de Florian, T. Frederico, V. P. Gonçalves, M. Hentschinski, R. J. Hernández-Pinto, G. Krein, M. V. T. Machado, J. P. B. C. de Melo, W. de Paula, R. Sassot, F. E. Serna, Supporting authors outside Latin America:","doi":"10.1007/s13538-025-01778-x","DOIUrl":"10.1007/s13538-025-01778-x","url":null,"abstract":"<div>The Electron-Ion Collider (EIC), a next generation electron-hadron and electron-nuclei scattering facility, will be built at Brookhaven National Laboratory. The wealth of new data will shape research in hadron physics, from nonperturbative QCD techniques to perturbative QCD improvements and global QCD analyses, for the decades to come. With the present proposal, Latin America based physicists, whose expertise lies on the theory and phenomenology side, make the case for the past and future efforts of a growing community, working hand-in-hand towards developing theoretical tools and predictions to analyze, interpret, and optimize the results that will be obtained at the EIC, unveiling the role of the glue that binds us all. This effort is along the lines of various initiatives taken in the USA and supported by colleagues worldwide, such as the ones by the EIC User Group which were highlighted during the Snowmass Process and the Particle Physics Project Prioritization Panel (P5).</div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 4","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900716","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 the Reduction Temperature of TiO2/rGO Nanotubes on the Structural Defects Studied by Raman Spectroscopy 拉曼光谱研究TiO2/rGO纳米管还原温度对结构缺陷的影响

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-04-30 DOI: 10.1007/s13538-025-01781-2

T. S. Pinheiro, W. Rondan, M. F. Malateaux, M. Lozada, I. Y. Abê, R. M. N. de Assunção, K. F. Albertin, A. Champi

{"title":"Influence of the Reduction Temperature of TiO2/rGO Nanotubes on the Structural Defects Studied by Raman Spectroscopy","authors":"T. S. Pinheiro, W. Rondan, M. F. Malateaux, M. Lozada, I. Y. Abê, R. M. N. de Assunção, K. F. Albertin, A. Champi","doi":"10.1007/s13538-025-01781-2","DOIUrl":"10.1007/s13538-025-01781-2","url":null,"abstract":"<div>Titanium oxide (TiO2) is an excellent photocatalyst, under ultraviolet light irradiation, for the degradation of various organic pollutants. However, TiO2 is limited by its high band gap value (3.2 eV). To overcome this limitation, graphene oxide (GO) and its derivatives, with their high specific surface area and excellent light absorption properties, can enhance the efficiency of the photocatalytic properties of TiO2 nanotubes. In this study, a material with potential use in photocatalysis was prepared by thermally incorporating GO into titanium oxide nanotubes (TiO2NTs) using dip-coating deposition. The samples were characterized by Raman spectroscopy, field emission gun scanning electron microscopy (FEG-SEM), Fourier transform infrared spectroscopy (FTIR), Thermogravimetric analysis/differential scanning calorimetry/differential thermogravimetry (TGA/DSC/DTG) GA/DSC/DTG and UV–Vis spectroscopy. These techniques allowed for the observation of the effect of thermal treatment on the nanocomposite. It was determined that the optimum temperature for the thermal treatment of the TiO2NTs/GO nanocomposite is 420 °C, evidenced by the analyzed Raman parameters (G-band, FWHM, ID/IG, distance between defects—LD and G-band position), which are consistent with a material that has few defects (increased LD). Furthermore, the characterizations demonstrated the satisfactory formation of a reduction of functional groups for the formation of uniform TiO2/rGO nanotubes, decrease in the edge defects of GO, tuning of the diameter TiO2 and confirming the efficiency of the synthesis process of these nanostructures. Finally, the results are promising for potential applications in devices for photocatalysis and CO2 storage.</div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 4","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143892645","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 3-3-1 Model with Exotic Electric Charges, Right-Handed Neutrinos with Type-I+II Seesaw Mechanism and Their Effects on LFV 带有奇异电荷的3-3-1模型，具有i +II型跷跷板机制的右手中微子及其对LFV的影响

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-04-30 DOI: 10.1007/s13538-025-01754-5

Abrar Ahmad, Shakeel Mahmood, Farida Tahir, Fizza Atif, Wasi Uz Zaman

{"title":"The 3-3-1 Model with Exotic Electric Charges, Right-Handed Neutrinos with Type-I+II Seesaw Mechanism and Their Effects on LFV","authors":"Abrar Ahmad, Shakeel Mahmood, Farida Tahir, Fizza Atif, Wasi Uz Zaman","doi":"10.1007/s13538-025-01754-5","DOIUrl":"10.1007/s13538-025-01754-5","url":null,"abstract":"<div>In this research, we propose a modified version of the 3-3-1 model, incorporating a type-I+II seesaw mechanism and (Z_{4}) discrete symmetry, as a framework for investigating lepton flavor-violating (LFV) decays. This model successfully yields the left-handed neutrino’s mass square differences in the eV scale, with specific values (Delta m_{21}^{2}=7.12times 10^{-5}~eV^{2},) (Delta m_{31}^{2}=2.55times 10^{-3}~eV^{2}), and generates mixing angles (sin ^{2}theta _{12}=0.304,~sin ^{2}theta _{23}=0.595~)and (sin ^{2} theta _{13}=2.15times 10^{-2}) that align with experimental data. Furthermore, we develop SARAH and SPheno (Comput. Phy. Commun. 185, 1773, 2014) algorithms tailored for our modified model, enabling us to estimate the magnitude of LFV observables. Our calculations indicate favorable results for various LFV branching ratios, including (Br(mu rightarrow egamma )=7.82times 10^{-20},) (Br(tau rightarrow egamma )=3.66times 10^{-22},) (Br(tau rightarrow mu gamma )=1.03times 10^{-19},) (Br(tau rightarrow eee)=3.97times 10^{-12},) (Br(tau rightarrow mu mu mu )=1.33times 10^{-12},) (Br(tau rightarrow mu ee)=8.89times 10^{-13}). These findings demonstrate improved agreement with experimental measurements compared to previously reported results, which typically fall within the range of (10^{-2}) to (10^{-6}).</div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 4","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143892730","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

Optical and Structural Properties of Samarium-Doped Oxyfluoroborate Glasses for Optoelectronic Applications 用于光电应用的掺钐氟硼酸盐玻璃的光学和结构性质

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-04-26 DOI: 10.1007/s13538-025-01777-y

Ayman M. Mostafa, M. Abdel-baki, M. A. Azooz, A. M. Fayad, Asmaa E. Farahat, Ashraf K. Eessaa

{"title":"Optical and Structural Properties of Samarium-Doped Oxyfluoroborate Glasses for Optoelectronic Applications","authors":"Ayman M. Mostafa, M. Abdel-baki, M. A. Azooz, A. M. Fayad, Asmaa E. Farahat, Ashraf K. Eessaa","doi":"10.1007/s13538-025-01777-y","DOIUrl":"10.1007/s13538-025-01777-y","url":null,"abstract":"<div>A series of new oxyflouroborate glass systems with the composition 75B2O3-5Al2O3-(5-x) Li2O-15MgF2 embedded with samarium ions with different molar ratios are prepared and studied their optical properties based on vibrational, transitional, and photoluminescence characteristics to be applicable in optoelectronic applications. The gain results show that as the amounts of Sm2O3-embedding of oxyflouroborate glass increase, the absorption coefficient decreases with increasing wavelength up to a certain wavelength, which affects the energy band gap directly and indirectly, the network's polarizability and the skin depth. The skin effect may affect the optical energy band gap of any glass structure based on the VB to CB transition, affecting the ionicity of oxygens and the interatomic distance due to the charges on the oxygen anion in borate glasses made of Sm2O3 and Li2O. Thus, it indicates ionic bond formation and a significant shift in polarizability, molar refractivity, steepness parameter, metallization, optical electronegativity, electron polarizability, and optical basicity. Besides, the 0.4 mol% Sm3+-embedded glass sample has the highest emission intensity, related to the non-bridging oxygen involved in Sm3+ incorporation into host glasses. Also, the glass samples showed that Sm2O3 concentration increased the two absorption bands at 700 cm−1, related to the bond-bending vibrational mode of bridging oxygen atoms, and to some extent, the shifting of bands could not follow any trend with the continuous addition of samarium oxide. These results promise to know the influence of inserting Sm2O3 on the borate glass structure, as the junction point determines the optical band edge for up-conversion laser and photonic applications.</div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 4","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877778","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 Cnoidal Magnetosonic Waves in a Plasma with Non-Maxwellian Electrons 用非麦克斯韦电子研究等离子体中的椭圆磁声波

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-04-26 DOI: 10.1007/s13538-025-01766-1

E. I. El-Awady, S. Hussain, N. Akhtar

{"title":"Investigating Cnoidal Magnetosonic Waves in a Plasma with Non-Maxwellian Electrons","authors":"E. I. El-Awady, S. Hussain, N. Akhtar","doi":"10.1007/s13538-025-01766-1","DOIUrl":"10.1007/s13538-025-01766-1","url":null,"abstract":"<div>The two-fluid magnetohydrodynamic theory is applied to study periodic magnetosonic waves (cnoidal waves) in electron-ion ((e-i)) classically magnetized plasma. The mass of electrons is included in the momentum equation to incorporate the inertial effects, and they obey nonthermal distributions such as (r, q), Q-nonextensive, and kappa distributions via the equation of state. The dispersion relation (DR) for a magnetosonic wave (MWs) is derived by applying the Fourier transformation. The dispersion in the plasma system appears through electron skin depth. By employing the Reductive Perturbation Technique (RPT), a nonlinear evolution equation is formulated, which allows for the existence of solitons within the plasma system. To obtain the solution in the form of magnetosonic cnoidal waves, the Sagdeev pseudopotential method is utilized. The research comprehensively examines how changes in the electron flatness index (r) at low energy, the superthermal index (q) at high energy, the superthermal parameter ((kappa )), and the nonextensive parameter (Q) affect the propagation properties of magnetosonic waves. The findings reveal that when (vartheta =Lambda =0), the cnoidal waves associated with magnetosonic waves undergo a transformation and become solitary waves. Overall, the findings enhance the understanding of ion-acoustic periodic magnetosonic waves in ionospheric plasmas and single-mode drift wave spectra.</div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 4","pages":""},"PeriodicalIF":1.5,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13538-025-01766-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimization of Terahertz Radiation Generation via Sech-Shaped Laser Pulses in Collisional Homogenous Plasma 碰撞均匀等离子体中h形激光脉冲产生太赫兹辐射的优化

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-04-25 DOI: 10.1007/s13538-025-01774-1

Jasveer Singh, Sunita Rani, Hitesh Kumar Midha, Vivek Sharma, Vishal Thakur

引用次数: 0

Effectiveness of Nonlinear Kerr Medium in Statistical Measurements of (mathfrak {X})-type Five-Level Atom and Two Quantum Systems 非线性Kerr介质在(mathfrak {X})型五能级原子和双量子系统统计测量中的有效性

IF 1.5 4区物理与天体物理

Brazilian Journal of Physics Pub Date : 2025-04-22 DOI: 10.1007/s13538-025-01758-1

Abdallah A. Nahla, M. M. A. Ahmed

引用次数: 0