Solid State Communications最新文献

{"title":"Artificial neural network-based forecasting of strained InGaN/GaN quantum well-related optical absorption","authors":"Haddou El Ghazi ,&nbsp;Walid Belaid ,&nbsp;Hassan Abboudi ,&nbsp;Ahmed Sali ,&nbsp;Abdellah El Boukili","doi":"10.1016/j.ssc.2025.116171","DOIUrl":"10.1016/j.ssc.2025.116171","url":null,"abstract":"<div><div>In this paper, we propose a Multi-Layer Perceptron (MLP) approach constituting a specific Artificial Neuron Network (ANN) architecture transforming the field of physics by providing robust alternatives to labor- and time-intensive empirical research to predict the far-field optical absorption spectra of strained (In,Ga)N/GaN quantum well, an important challenge in the photovoltaic area. Our model incorporates the effects of indium surface segregation and built-in electric field, offering a comprehensive analysis of the low-lying electronic states. The accuracy and generalization of the proposed model were evaluated by comparing the predicted results with actual data from calculations using the mean squared error and the correlation coefficient. The results show that the ANN-MLP architecture achieves high predictive accuracy, particularly for QWs with large barriers and low Indium content. The best mean square error and correlation coefficient for the MLP network are respectively <span><math><mrow><mn>2.3</mn><mspace></mspace><msup><mn>10</mn><mrow><mo>−</mo><mn>3</mn></mrow></msup></mrow></math></span> and <span><math><mrow><mn>98.3</mn><mo>%</mo></mrow></math></span> which verify the high efficiency and accuracy of the proposed neural network model. These findings reveal that ANN-based predictive models streamline the study of optical properties in low-dimensional materials and have the potential to replace traditional methods, accelerating advancements in next-generation optoelectronic device design.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116171"},"PeriodicalIF":2.4,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155815","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":"Excitonic insulator and novel trion states in twisted MoSe2/WSe2 bilayers","authors":"Fenghua Qi ,&nbsp;Jun Cao ,&nbsp;Jie Cao ,&nbsp;Xingfei Zhou ,&nbsp;Guojun Jin","doi":"10.1016/j.ssc.2025.116164","DOIUrl":"10.1016/j.ssc.2025.116164","url":null,"abstract":"<div><div>Twisted bilayer transition metal dichalcogenides have emerged as one of the most active research fields in recent years. At the full filling of the first moiré valence band, the electron–hole pairs formed in the moiré energy bands can combine to form moiré excitons. We investigate the phase diagram of twisted <span><math><mrow><msub><mrow><mtext>MoSe</mtext></mrow><mrow><mn>2</mn></mrow></msub><mo>/</mo><msub><mrow><mtext>WSe</mtext></mrow><mrow><mn>2</mn></mrow></msub></mrow></math></span> bilayers with varying twist angle and moiré potential strength. It is found that a strong moiré potential is beneficial for the excitonic insulator (EI) state at large twist angles. Moreover, the condensation of moiré excitons can further induce a ground state with non-conserved trion number. The emergence of this state might provide novel electrical properties. A toy model is proposed to describe the occurrence of this state and a rigorous proof is given to the critical conditions through the application of the Feynman diagram technique.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116164"},"PeriodicalIF":2.4,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155818","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":"On the Ag and Au deposition on the Si (113)-1x1 surface: First principles studies","authors":"Gregorio H. Cocoletzi ,&nbsp;R. García-Díaz ,&nbsp;W. Calleja-Arriaga","doi":"10.1016/j.ssc.2025.116170","DOIUrl":"10.1016/j.ssc.2025.116170","url":null,"abstract":"<div><div>Silver (Ag) and gold (Au) deposition on the high index silicon (113) surface is investigated using ab-initio calculations, within the density functional theory (DFT). Ag and Au concentrations are varied from 1 atom up to 3 monolayers (MLs). The atomic structure stability is determined by applying the surface formation energy (SFE) formalism. When 4 metal atoms are deposited on the silicon surface, one possible stable atomic structure is the zigzag atomic wire formation, with the Au atomic wire being more stable. The 1, 2 and 3 MLs thin film form all stable structures, with those of Au displaying better energetic stability. Electronic properties are studied in terms of the density of states (DOS) and projected density of states (pDOS). Results of the zigzag atomic wires indicate that charge transport may take place mediated by the silicon atoms underneath the metal atoms. The metal structure formation on top of the Si (113)-1x1 may be applied in ohmic contacts, which may be used in the nano-electronic industry.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116170"},"PeriodicalIF":2.4,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155816","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":"Influence of exchange–correlation functional choices on machine learning potential accuracy in the coupled PWDFT-DeePMD framework","authors":"Yufan Yao ,&nbsp;Shuai Lv ,&nbsp;Wei Hu","doi":"10.1016/j.ssc.2025.116163","DOIUrl":"10.1016/j.ssc.2025.116163","url":null,"abstract":"<div><div>Machine learning potentials offer a promising approach for large-scale first-principles calculations. However, the accuracy of models derived from different Jacob’s ladder levels significantly affects their predictive performance, as the quality of the training dataset plays a crucial role in model effectiveness. Therefore, generating a sufficiently large and diverse dataset for training machine learning potentials remains a major challenge. In this work, we couple plane-wave density functional theory (PWDFT) with deep potential molecular dynamics (DeePMD), utilizing the rapid and accurate hybrid functional calculations within PWDFT to generate diverse training sets. This coupling enables us to systematically assess the impact of different functional-based training sets on machine learning potentials within the plane-wave basis set, thus improving computational efficiency and model robustness. We find that local and semi-local functionals are more suitable for solid systems, while hybrid functionals perform better for complex systems like molecules. This observation underscores the importance of selecting appropriate functionals for specific systems to enhance the accuracy and reliability of model predictions.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116163"},"PeriodicalIF":2.4,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155814","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":"A data-driven constitutive model for Al-Mg-Zn alloys: Embedding neural networks in crystal plasticity finite element analysis","authors":"Xin Chen ,&nbsp;Xiaoyu Zheng ,&nbsp;Yuling Liu ,&nbsp;Liya Li ,&nbsp;Qingqing Chen ,&nbsp;Yong Du","doi":"10.1016/j.ssc.2025.116167","DOIUrl":"10.1016/j.ssc.2025.116167","url":null,"abstract":"<div><div>Machine learning technology is increasingly becoming an important tool for material constitutive modeling with its inherent advantage in capturing the nonlinear behavior of materials under various loading conditions. In this study, a novel surrogate model framework that embeds artificial neural network in finite element analysis is proposed for the age-hardened aluminum alloy Al-7.02Mg-1.78Zn. This framework is based on data-driven principles and retains the solution framework for crystal slip. By decoupling the solution process of crystal plasticity finite element analysis and using neural networks to replace the Newton-Raphson iterative method for handling the core steps in crystal plasticity finite element analysis. Specifically, the state variables associated with the 12 slip systems of the face-centered cubic crystal structure are selected as inputs, while the slip system shear strain increments serve as the outputs to construct the artificial neural network. The weights and biases parameters of the model are saved and subsequently converted into finite element program code through custom scripting. Subsequently, matrix operations are employed within the finite element analysis to reconstruct the neural network prediction model, achieving data-driven constitutive modeling. In the numerical simulation of polycrystalline materials, the surrogate model replaces the complex iterative process of phenomenological crystal plasticity constitutive model, accurately forecasts the mechanical behavior of the material. Its computational efficiency is approximately twice that of traditional models under uniaxial loading and approximately seven times faster under cyclic loading. The neural network-based surrogate modeling framework improves the deficiencies of crystal plasticity constitutive model in terms of computational efficiency and convergence.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116167"},"PeriodicalIF":2.4,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155820","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":"The different response in band structures and optical properties induced by spin-orbit coupling in Ba3X2(PO4)4 (X = Sb and Bi): A first-principles investigation","authors":"Daorina Hu,&nbsp;Mei Hu,&nbsp;Xu Ji,&nbsp;Qun Jing,&nbsp;Zhaohui Chen,&nbsp;Xiuhua Cui,&nbsp;Haiming Duan","doi":"10.1016/j.ssc.2025.116168","DOIUrl":"10.1016/j.ssc.2025.116168","url":null,"abstract":"<div><div>The post-transition metal phosphates have long attracted many research interest due to their amazing optical properties and interesting spin-orbit coupling (SOC) effect coming from heavy elements. In this paper, the first-principles investigation reveals different response to band structures and optical properties induced by SOC in Ba₃X₂(PO₄)₄ (X = Sb and Bi). Obvious band splitting and band downshifting is found at the bottom of conduction band of Ba₃Bi₂(PO₄)₄ leading to largely reduction of bandgap (from 3.981 to 3.169 eV) and enhanced birefringence (from 0.032 to 0.080 @ 532 nm), while the changing of band structures and optical properties of Ba₃Sb₂(PO₄)₄ is negligible. The different response has relation with the different spin-orbit coupling. Further investigation using the so-called ‘<em>shifting of conduction band</em>’ shows that both band splitting and band shifting play important role in determining the enhanced birefringence induced by SOC.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116168"},"PeriodicalIF":2.4,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155813","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":"Mixed metal oxides derived from Ni-doped Mg-Al layered double hydroxides based solid solution series: Optimizing nickel composition toward improving the isopropanol catalytic decomposition and enhancing the electrical and dielectric performances","authors":"Wafaa El Kasiti ,&nbsp;Redouane Lahkale ,&nbsp;Hasna Ouassif ,&nbsp;Khadija Ben Zarouala ,&nbsp;Othmane Rhalmi ,&nbsp;Khadija Chouni ,&nbsp;Youssef Messak ,&nbsp;Abdeladim Maatoufi ,&nbsp;Mohammed Baalala ,&nbsp;Mohammed Bensitel ,&nbsp;El Mouloudi Sabbar","doi":"10.1016/j.ssc.2025.116166","DOIUrl":"10.1016/j.ssc.2025.116166","url":null,"abstract":"<div><div>Ni-doped Mg-Al mixed metal oxides (MMOs) were synthesized from (Mg_1-<em>y</em>Ni_<em>y</em>)₄-Al layered double hydroxides (LDHs) intercalated with carbonate ions (<em>y</em> = 0, 0.1, 0.5 and 1) by calcining the LDHs at 500 °C. The LDHs were synthesized using the co-precipitation at a constant pH method, and characterized by XRD, TGA/DTA and FTIR spectroscopy. The obtained LDHs based solid solution series was confirmed by XRD through the evolution of the cell parameter (<em>a</em>) as a function of nickel content (<em>y</em>) according to Vegard's law. All phases of the MMOs adopted the NaCl-type structure, and exhibited a decreased cell parameter (<em>a</em>) and an increased crystallite size as the nickel content increased. The 50 % Ni-doped Mg-Al MMO exhibited the highest surface area and total conversion among the catalysts. Furthermore, pure acetone production was achieved using the 100 % Ni-doped Mg-Al MMO. Regarding the electrical response of the MMOs, an electrical equivalent circuit model was constructed to describe two contributions related to the grains and grain boundaries, which occur at high and low frequencies, respectively. Additionally, nickel has been shown to enhance electrical conductivity, and increase both the dielectric constant and the dielectric loss tangent. Thus, by optimizing the nickel composition, this study investigated the potential of fully nickel-doped Mg-Al MMO for producing acetone through the catalytic decomposition of isopropanol and for use as an electrolyte solid material. Undoped Mg-Al MMO was also found to be suitable for dielectric energy storage due to its low dielectric energy dissipation.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116166"},"PeriodicalIF":2.4,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155812","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":"Tuning the lasing threshold of quantum well exciton-polaritons under a magnetic field in Faraday geometry: A theoretical study","authors":"Le Tri Dat ,&nbsp;Nguyen Dung Chinh ,&nbsp;Vinh N.T. Pham ,&nbsp;Vo Quoc Phong ,&nbsp;Nguyen Duy Vy","doi":"10.1016/j.ssc.2025.116161","DOIUrl":"10.1016/j.ssc.2025.116161","url":null,"abstract":"<div><div>Polariton lasing represents a promising pathway toward the development of ultralow-threshold lasers that operate without requiring population inversion. The application of a magnetic field to a quantum well (QW) microcavity can significantly modify exciton-polariton properties, offering a powerful means to control their condensation dynamics. In this work, we theoretically investigate how a perpendicular magnetic field (Faraday configuration) influences the lasing threshold of QW exciton-polaritons. By incorporating magnetic-field-induced modifications to the exciton effective mass and Rabi splitting, we reveal that the relaxation kinetics—and consequently, the lasing threshold—are strongly affected. Under low-wavenumber pumping, increasing the magnetic field raises the threshold, while under high-wavenumber pumping, the threshold is reached at much lower pump intensities. Moreover, a combined increase of pump energy and magnetic field significantly enhances relaxation efficiency, resulting in a substantially larger population of condensed polaritons. These findings provide valuable insights into the tunability of exciton-polariton condensation via external magnetic fields and offer guidance for the design of next-generation, low-threshold polariton lasers.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116161"},"PeriodicalIF":2.4,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119331","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, dielectric properties and electrical conductivity of highly efficient photocatalytic TiO2@ZrO2 system","authors":"Anis Fkiri ,&nbsp;Aymen Selmi ,&nbsp;Mohamed Ali Saidani ,&nbsp;Tariq Altalhi ,&nbsp;Amine Mezni","doi":"10.1016/j.ssc.2025.116165","DOIUrl":"10.1016/j.ssc.2025.116165","url":null,"abstract":"<div><div>In this work, binary TiO₂@ZrO₂ hybrid nanotubes was prepared using a fast efficient solvothermal procedure. The solvent used in this reaction is 1.3-propandiol reacted as both solvent, oxidant and surfactant agent. The obtained binary TiO₂@ZrO₂ hybrid nanotubes was then fully characterized to evaluate the microstructure, size and shape using XRD diffraction technique, TEM microscopy and XPS spectrometry. The photocatalytic activity, evaluated via methyl orange degradation under UV irradiation, showed a remarkable 94.6 % efficiency and excellent recyclability. In addition to their photocatalytic performance, the materials exhibit interesting electrical properties. After that, the microwave dielectric properties of binary TiO₂@ZrO₂ hybrid nanotubes were investigated over the range of frequency between 100 Hz and 1 MHz and in the temperature range of 20 °C-300 °C. The AC conductivity is insured by a process defined as a hopping transport mechanism. The Nyquist plots show the dominance of the bulk effect in the compound. Electrical phenomena in the material can appropriately be modeled in terms of an equivalent circuit with R and CPE in parallel. The fitting procedure used here allows us to determine the value of R and parameters of CPE with good precision. At temperatures above 100 °C the equivalent circuit model shows the appearance of an additional Constant Phase Element (CPE2) in equivalent circuit which can be related to the dielectric relaxation processes associated with the migration of oxygen vacancies or ions such as Ti⁴⁺ and/or Zr⁴⁺. This ionic migration could be responsible for the dielectric relaxation observed at low frequencies and could also explain the large decrease in permittivity in this frequency range.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116165"},"PeriodicalIF":2.4,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155819","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":"Excitation of two-dimensional plasmons by light pulses via the near field of a nanoantenna","authors":"V.A. Kosobukin","doi":"10.1016/j.ssc.2025.116162","DOIUrl":"10.1016/j.ssc.2025.116162","url":null,"abstract":"<div><div>A theory is presented for excitation of nonradiative plasmons in two-dimensional (2D) electron gas by light pulses. It is assumed that longitudinal 2D plasma oscillations are induced via the near field of a close located linear nanoantenna which is dipole-polarized by light. Equation of motion for polarization waves of 2D plasmons is derived and solved analytically in terms of forced steady and concomitant transient oscillations. The two type of oscillations provide the zero initial conditions and the transient modes in switching a ligth pulse on and off. The packet of 2D plasmons excited via near field with different wavevectors is shown to possess inhomogeneously broadened spectrum of elementary lines with maxima at the frequencies of plasmons. In switching transient mode, the polarization of 2D plasmons is found to exhibit beatings associated with detuning the frequencies of exciting light and excitable plasmon. Predicted are the spectra of 2D plasmons and effectiveness of their near-field excitation depending on time and wavenumber.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"405 ","pages":"Article 116162"},"PeriodicalIF":2.4,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155817","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}