Solid State Communications最新文献

{"title":"Interdiffusion in chalcogenide semiconductor superlattice nanostructures","authors":"A. Sipatov ,&nbsp;L. Konotopsky ,&nbsp;E. Moroz ,&nbsp;V. Volobuev","doi":"10.1016/j.ssc.2024.115731","DOIUrl":"10.1016/j.ssc.2024.115731","url":null,"abstract":"<div><div>The diffusion intermixing of layers during annealing of epitaxial superlattice nanostructures based on chalcogenide semiconductors (PbS, PbSe, PbTe, EuS, EuSe, SrS) was studed by X-ray diffraction technique. The interdiffusion coefficients were determined basing on changing of the intensity of near-Bragg reflection satellites in X-ray diffraction pattern. Layer materials in superlattices EuS-PbTe and PbS-PbTe are not intermixed.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"395 ","pages":"Article 115731"},"PeriodicalIF":2.1,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593837","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":"Magnetic and magnetocaloric dynamics in A2BFeO6 double perovskites: Impact of A and B site variations analyzed through Monte Carlo simulation and Ab initio calculations","authors":"M. Bessimou,&nbsp;R. Masrour","doi":"10.1016/j.ssc.2024.115732","DOIUrl":"10.1016/j.ssc.2024.115732","url":null,"abstract":"&lt;div&gt;&lt;div&gt;We investigate the magnetic and magnetocaloric properties of the double perovskites &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;o&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;o&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; using a combination of Monte Carlo simulations and Density Functional Theory (&lt;em&gt;DFT&lt;/em&gt;). The exchange couplings were calculated using DFT. &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; exhibits antiferromagnetic ordering with two transitions at 50 and 150 K, driven by strong antiferromagnetic exchange interactions between Fe³⁺ and Os⁵⁺ ions. In contrast, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;o&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; shows ferrimagnetic behavior with a single transition around 75 K, attributed to ferromagnetic coupling between Co&lt;sup&gt;2&lt;/sup&gt;⁺ and Fe³⁺ ions. For the rare-earth-containing compounds, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; demonstrates complex magnetic ordering with transitions at approximately 20 K and 140 K, influenced by the strong spin-orbit coupling of Dy³⁺ ions. Similarly, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;o&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; exhibits two transitions at around 60 K and 170 K, reflecting a mix of ferromagnetic and antiferromagnetic interactions involving Dy³⁺, Co&lt;sup&gt;2&lt;/sup&gt;⁺, and Fe³⁺ ions. &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mi&gt;s&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; shows a peak magnetic entropy change &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;Δ&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; of 0.22 J/kg.K under a 5 T field at 50 K, while &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;mi&gt;o&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; exhibits a broader peak at 75 K with &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;Δ&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; of 1.5 J/kg·K. &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mi&gt;s","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"395 ","pages":"Article 115732"},"PeriodicalIF":2.1,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586071","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":"Strong stretching bond force constants and Young's moduli in boron nitride nanotubes","authors":"Gustavo Dominguez-Rodríguez ,&nbsp;Gabriel Canto ,&nbsp;César Cab ,&nbsp;Jorge Medina ,&nbsp;Jorge A. Tapia","doi":"10.1016/j.ssc.2024.115734","DOIUrl":"10.1016/j.ssc.2024.115734","url":null,"abstract":"<div><div>High values of stretching bond force constants (<em>k</em>_<em>r</em>) and Young's moduli (<span><math><mrow><mi>Y</mi></mrow></math></span>) for boron nitride nanotubes (BNNTs) and carbon nanotubes (CNTs) were determined and compared using density functional theory, focusing on armchair chirality (n,n) within a diameter range of 4.4–13.9 Å. The influence of structural configuration on <em>k</em>_<em>r</em> and <span><math><mrow><mi>Y</mi></mrow></math></span> calculations is discussed, implementing the generalized gradient approximation to clarify the effects and differences in chemical bonding and structural rigidity within BNNTs of different diameters. The results show an increasing trend in the <em>k</em>_<em>r</em> and <span><math><mrow><mi>Y</mi></mrow></math></span> values as the BNNT diameter increases, with <em>k</em>_<em>r</em> magnitudes resembling those reported for CNTs. The theoretical calculations suggest that BNNTs could be an excellent alternative for a broad spectrum of CNT applications, particularly in fields such as energy, electronics, medicine, environmental science, and composite materials, where mechanical properties are crucial.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"395 ","pages":"Article 115734"},"PeriodicalIF":2.1,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528118","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 performance and thermal stability of solar cell based on CIGS-Sb2S3 combination with >35 % power conversion efficiency","authors":"Sweety Chauhan ,&nbsp;Anuj K. Sharma ,&nbsp;Nitin Singh Singha","doi":"10.1016/j.ssc.2024.115736","DOIUrl":"10.1016/j.ssc.2024.115736","url":null,"abstract":"<div><div>This study presents a solar cell design utilizing a CIGS (copper-indium-gallium-selenide) absorber and Sb₂S₃ (antimony trisulfide) back surface field (BSF) layers, targeting high photovoltaic (PV) performance with an emphasis on minimum possible effect of ambient temperature. We simulated a solar cell design consisting of zinc oxide, surface defect layer, zinc sulfide, CIGS layer, and an Sb₂S₃ layer using SCAPS-1D software. Our findings indicate that 200 nm Sb₂S₃ layer and a 1600 nm CIGS layer is the preferred combination for achieving high PV performance and appropriate J-V characteristics of the proposed solar cell. For this design, the achieved values of V_OC (open circuit voltage), J_SC (short circuit current density), PCE (power conversion efficiency), and fill factor (FF) are 1.069V, 42.08 mA/cm², 35.94 %, and 80.31 %, respectively. The PV performance of the proposed solar cell is substantially better than the solar cell design without BSF layer as well as recently reported (2023-24) solar cell designs. This study further examines the impact of elevated ambient temperatures (295–360 K) on the PV performance. Our simulation results show that operating the proposed solar cell at moderately elevated temperatures is not a significant issue owing to small power temperature coefficient (−0.034 % per K), which is comparable to that of commercially available solar cells. These findings are expected to contribute to the ongoing advancement of PV solar cells, aiming for higher PCE and improved stability, including thermal stability. Proposed solar cell with low PTC and high PCE can be suitable for space applications where temperature fluctuation is severe, as well as in tropical areas.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"395 ","pages":"Article 115736"},"PeriodicalIF":2.1,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142663984","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":"Electronic structure, phonons, and born effective charges in CuLaO2: A first-principles study","authors":"Mohamed Khedidji ,&nbsp;Houssyen Yousfi ,&nbsp;Faouzi Saib ,&nbsp;Mohamed Trari","doi":"10.1016/j.ssc.2024.115733","DOIUrl":"10.1016/j.ssc.2024.115733","url":null,"abstract":"<div><div>This study presents a first-principles investigation of the structural, electronic, dielectric, and dynamical properties of CuLaO₂ in its rhombohedral delafossite phase using density functional theory. Our analysis reveals that CuLaO₂ is a stable indirect band gap semiconductor with a 2.35 eV band gap, showing significant Cu (3d, 4s) and O (2p) orbital hybridization. Phonon dispersion calculations confirm dynamical stability with no imaginary frequencies, and the material exhibits anisotropic dielectric behavior due to mixed ionic-covalent bonding. These findings suggest that CuLaO₂ has potential applications in optoelectronics and energy technologies, providing a theoretical basis for future experimental validation.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"394 ","pages":"Article 115733"},"PeriodicalIF":2.1,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142536193","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":"Selective IR wavelengths multichannel filter based on the one-dimensional topological photonic crystals comprising hyperbolic metamaterial","authors":"Abdulkarem H.M. Almawgani ,&nbsp;Aliaa G. Mohamed ,&nbsp;Ali Hajjiah ,&nbsp;Haifa A. Alqhtani ,&nbsp;May Bin-Jumah ,&nbsp;Arafa H. Aly ,&nbsp;Wail Al Zoubi ,&nbsp;Mostafa R. Abukhadra ,&nbsp;Ahmed Mehaney ,&nbsp;Hussein A. Elsayed","doi":"10.1016/j.ssc.2024.115735","DOIUrl":"10.1016/j.ssc.2024.115735","url":null,"abstract":"<div><div>In this research article, we have theoretically introduced a one-dimensional topological photonic crystal (1D TPC) design to provide a better stability due to imperfections and fluctuations in geometry compared to the traditional PC structures. The considered structure is designed by the combination of two different PCs, i.e., PC₁ and PC₂. PC₁ consists of two layers of silicon (Si) and magnesium fluoride (MgF₂), while PC₂ contains a multilayer stack of MgF₂ and hyperbolic metamaterial (HMM). Interestingly, the HMM layer is introduced as a composite of a dielectric material of indium arsenide (InAs), and nanocomposite of Ag nanoparticles inside a hosting medium of Y₂O₃. The foundations of our theoretical framework are based on Effective Medium Theory (EMT), the Transfer Matrix Method (TMM), and the Maxwell-Garnett model. Our research primarily focuses on utilizing our design as a pass/stop band filter for near-infrared (NIR) applications. Notably, this proposed design exhibits significant stability in the face of imperfections and variations. Our numerical findings highlight the influence of several geometric parameters including the refractive index of hosting medium for Ag nanoparticles, thicknesses, and filling fraction on the characteristics of the resulting filter. Remarkably, the results also reveal the emergence of multiple resonance peaks that maintain high stability against geometric tolerances. We believe our work presents a finite photonic crystal (PC) whose wave localization properties are resilient to random geometric imperfections, making it suitable for NIR filtering applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"395 ","pages":"Article 115735"},"PeriodicalIF":2.1,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578649","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":"Modification of Majorana leakage effect due to the presence of quantum interference","authors":"Chuan-Jing Yang ,&nbsp;Li-Hui Jin ,&nbsp;Xue-Feng Dai ,&nbsp;Wei-Jiang Gong","doi":"10.1016/j.ssc.2024.115724","DOIUrl":"10.1016/j.ssc.2024.115724","url":null,"abstract":"<div><div>This study delves into the Majorana leakage effect modified by the quantum interference, by coupling one Majorana zero mode (MZM) simultaneously to two dots in a double-quantum-dot Aharonov-Bohm interferometer device. Our findings reveal that the Majorana leakage effect significantly diverges from the single-dot case, predominantly influenced by the symmetry properties of the arms of the interferometer. Remarkably, with identical arms, the Majorana leakage effect halves the low-bias conductance magnitude for magnetic flux phase factor <span><math><mrow><mi>ϕ</mi><mo>≠</mo><mn>2</mn><mi>n</mi><mi>π</mi></mrow></math></span> (<span><math><mrow><mi>n</mi><mo>∈</mo><mi>Integer</mi></mrow></math></span>). In contrast, when inter-arm symmetry is disrupted, this halving phenomenon is restricted to instances where <span><math><mrow><mi>ϕ</mi><mo>=</mo><mn>2</mn><mi>n</mi><mi>π</mi></mrow></math></span>, accompanied by a <span><math><mrow><mn>4</mn><mi>π</mi></mrow></math></span>-periodic variation in low-bias conductances. Consequently, the Majorana leakage effect is intricately tied to the quantum interference patterns, offering insights into the quantum coherence and transport in hybrid superconducting systems.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"395 ","pages":"Article 115724"},"PeriodicalIF":2.1,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142528117","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":"Strain-tuned structural, optoelectronic and dielectric properties of cubic MAPbI3 perovskite driven by SOC using first-principles theory","authors":"Tamanna Binte Rahman ,&nbsp;Md Mustafizur Rahman ,&nbsp;SM Amir-Al Zumahi ,&nbsp;Md Rasidul Islam ,&nbsp;M Mahbubur Rahman","doi":"10.1016/j.ssc.2024.115728","DOIUrl":"10.1016/j.ssc.2024.115728","url":null,"abstract":"<div><div>In this report, we used first-principles density functional theory calculations to investigate the effect of compressive and tensile strains ranging from −6% to +6 % on the consideration of structural, optical, and electronic properties of CH₃NH₃PbI₃ (Methylammonium lead triiodide, hereafter MAPbI₃) perovskite. At the R-point of electronic band structures, the unstrained planar CH₃NH₃PbI₃ molecule exhibited a direct electronic bandgap of 1.6744 eV and 0.5187 eV without and with spin-orbit coupling (SOC) effect, respectively. Due to the SOC effect, the bandgap of CH₃NH₃PbI₃ perovskite increased as the tensile strains rose. On the contrary, the bandgap decreases with increasing compressive strains. The density of states (DOS) and projected density of states (PDOS)/total density of states (TDOS) described that the valence bands and the conduction bands of MAPbI₃ perovskite are controlled by I-p orbitals and Pb-p orbitals, respectively. The CH₃NH₃PbI₃ perovskite also has strong absorption capabilities in the photon energy region of 2 eV–2.75 eV, as evidenced by the optical studies. The main peak of the dielectric function shifts toward the lower photon energies with increasing compressive strains (redshift effect). However, the dielectric function peaks were blue-shifted by incorporating the tensile strains. The study exposed that SOC significantly modifies the electronic band structure, leading to modifications in phenomena of the perovskite structure. Furthermore, SOC-induced changes in the dielectric response highlight its role in shaping the material's characteristics. This comprehensive investigation provided fundamental insights into the potential manipulation of MAPbI₃ perovskite for enhanced device performance in photovoltaic and optoelectronic applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"394 ","pages":"Article 115728"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142536192","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":"GGA+U study the effects of strains on magnetism, elastic properties and electronic structures of Heusler alloy Pd2FeCu","authors":"Chengwei Lu,&nbsp;S.W. Fan","doi":"10.1016/j.ssc.2024.115727","DOIUrl":"10.1016/j.ssc.2024.115727","url":null,"abstract":"<div><div>The effect of strains on electronic structures, elastic properties, magnetic properties and Curie temperature of Pd₂FeCu are calculated by GGA + U method. The impact of strains on the magnetism of Pd₂FeCu is evaluated. The magnetism without and with spin-orbit coupling (SOC) effect under diverse strain are examined. The results show that Pd₂FeCu is a ferromagnetic metal with good ductility and mechanical stability. The SOC effect has a negligible impact on the atomic magnetic moment of Pd₂FeCu. When the compressive and tensile strains are imposed, the ferromagnetic metal properties still keep, and the Curie temperature of Pd₂FeCu is higher than room temperature. The ferromagnetism for Pd₂FeCu is very robust with respect to the variation of the strain. And the Ruderman-Kittel-Kasuya-Yoshida (RKKY) type ferromagnetic interaction play a crucial role to determine the ferromagnetism. We expect this work could stimulate experimental study.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"394 ","pages":"Article 115727"},"PeriodicalIF":2.1,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142536190","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":"Electrical properties of completely compensated single-crystal Ge-on-GaAs films with two-dimension Coulomb disorder","authors":"V.F. Mitin","doi":"10.1016/j.ssc.2024.115726","DOIUrl":"10.1016/j.ssc.2024.115726","url":null,"abstract":"<div><div>We present electrical properties of heavily doped and completely compensated Ge films grown on semiinsulating GaAs(100) substrates by vacuum evaporation. The thin (∼100 nm) Ge films are single-crystal and characterized using temperature-dependent transport measurements, with anomalously large activation energy up to half the Ge bandgap, anisotropy of the transverse magnetoresistance, high resistivity (up to 140 Ω cm), low free charge carrier mobility (∼50 cm²/V·s), and concentration (∼10¹⁴–10¹⁵ cm⁻³). This behaviour is attributed to a completely compensated semiconductors arising from Ga and As impurity incorporation and large-scale potential fluctuations. Analysis suggests a two-dimensional percolative transport mechanism in Ge-on-GaAs heterostructures.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"394 ","pages":"Article 115726"},"PeriodicalIF":2.1,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142444969","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}