Pub Date : 2024-10-24DOI: 10.1016/j.ssc.2024.115731
A. Sipatov , L. Konotopsky , E. Moroz , V. Volobuev
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.
利用 X 射线衍射技术研究了基于铬化半导体（PbS、PbSe、PbTe、EuS、EuSe、SrS）的外延超晶格纳米结构退火过程中的层间扩散混合情况。根据 X 射线衍射图样中近布拉格反射卫星强度的变化确定了相互扩散系数。超晶格 EuS-PbTe 和 PbS-PbTe 中的层材料没有相互混合。
{"title":"Interdiffusion in chalcogenide semiconductor superlattice nanostructures","authors":"A. Sipatov , L. Konotopsky , E. Moroz , 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}
Pub Date : 2024-10-24DOI: 10.1016/j.ssc.2024.115732
M. Bessimou, R. Masrour
<div><div>We investigate the magnetic and magnetocaloric properties of the double perovskites <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub><mo>,</mo><msub><mrow><mspace></mspace><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub><msub><mrow><mo>,</mo><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> and <span><math><mrow><msub><mrow><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> using a combination of Monte Carlo simulations and Density Functional Theory (<em>DFT</em>). The exchange couplings were calculated using DFT. <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> exhibits antiferromagnetic ordering with two transitions at 50 and 150 K, driven by strong antiferromagnetic exchange interactions between Fe³⁺ and Os⁵⁺ ions. In contrast, <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> shows ferrimagnetic behavior with a single transition around 75 K, attributed to ferromagnetic coupling between Co<sup>2</sup>⁺ and Fe³⁺ ions. For the rare-earth-containing compounds, <span><math><mrow><msub><mrow><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> demonstrates complex magnetic ordering with transitions at approximately 20 K and 140 K, influenced by the strong spin-orbit coupling of Dy³⁺ ions. Similarly, <span><math><mrow><msub><mrow><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> exhibits two transitions at around 60 K and 170 K, reflecting a mix of ferromagnetic and antiferromagnetic interactions involving Dy³⁺, Co<sup>2</sup>⁺, and Fe³⁺ ions. <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> shows a peak magnetic entropy change <span><math><mrow><mo>Δ</mo><msub><mi>S</mi><mi>m</mi></msub></mrow></math></span> of 0.22 J/kg.K under a 5 T field at 50 K, while <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> exhibits a broader peak at 75 K with <span><math><mrow><mo>Δ</mo><msub><mi>S</mi><mi>m</mi></msub></mrow></math></span> of 1.5 J/kg·K. <span><math><mrow><msub><mrow><mspace></mspace><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s
我们采用蒙特卡罗模拟和密度泛函理论（DFT）相结合的方法研究了双包晶石 Sr2FeOsO6、Sr2FeCoO6、Dy2FeOsO6 和 Dy2FeCoO6 的磁性和磁致性。交换耦合是通过 DFT 计算得出的。在 Fe³⁺ 和 Os⁵⁺ 离子之间强烈的反铁磁交换相互作用的驱动下，Sr2FeOsO6 在 50 和 150 K 时表现出两种跃迁的反铁磁有序性。与此相反，Sr2FeCoO6 在 75 K 附近显示出铁磁性，只有一个转变，这归因于 Co2⁺和 Fe³⁺ 离子之间的铁磁耦合。在含稀土的化合物中，Dy2FeOsO6 表现出复杂的磁有序性，在大约 20 K 和 140 K 有转变，这是受 Dy³⁺ 离子的强自旋轨道耦合的影响。同样，Dy2FeCoO6 在大约 60 K 和 170 K 时出现两个转变，反映了涉及 Dy³⁺、Co2⁺ 和 Fe³⁺ 离子的铁磁和反铁磁相互作用的混合。在 50 K 的 5 T 磁场下，Sr2FeOsO6 的磁熵变化峰值 ΔSm 为 0.22 J/kg.K，而 Sr2FeCoO6 在 75 K 时的峰值更宽，ΔSm 为 1.5 J/kg-K。Dy2FeOsO6 在 20 K 和 140 K 时出现明显的 ΔSm 峰，在 5 T 磁场下达到 1.9 J/kg-K。Dy2FeCoO6 在 60 K 时的 ΔSm 最高，达到 4.0 J/kg-K。
{"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, R. Masrour","doi":"10.1016/j.ssc.2024.115732","DOIUrl":"10.1016/j.ssc.2024.115732","url":null,"abstract":"<div><div>We investigate the magnetic and magnetocaloric properties of the double perovskites <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub><mo>,</mo><msub><mrow><mspace></mspace><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub><msub><mrow><mo>,</mo><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> and <span><math><mrow><msub><mrow><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> using a combination of Monte Carlo simulations and Density Functional Theory (<em>DFT</em>). The exchange couplings were calculated using DFT. <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> exhibits antiferromagnetic ordering with two transitions at 50 and 150 K, driven by strong antiferromagnetic exchange interactions between Fe³⁺ and Os⁵⁺ ions. In contrast, <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> shows ferrimagnetic behavior with a single transition around 75 K, attributed to ferromagnetic coupling between Co<sup>2</sup>⁺ and Fe³⁺ ions. For the rare-earth-containing compounds, <span><math><mrow><msub><mrow><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> demonstrates complex magnetic ordering with transitions at approximately 20 K and 140 K, influenced by the strong spin-orbit coupling of Dy³⁺ ions. Similarly, <span><math><mrow><msub><mrow><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> exhibits two transitions at around 60 K and 170 K, reflecting a mix of ferromagnetic and antiferromagnetic interactions involving Dy³⁺, Co<sup>2</sup>⁺, and Fe³⁺ ions. <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>s</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> shows a peak magnetic entropy change <span><math><mrow><mo>Δ</mo><msub><mi>S</mi><mi>m</mi></msub></mrow></math></span> of 0.22 J/kg.K under a 5 T field at 50 K, while <span><math><mrow><msub><mrow><mi>S</mi><mi>r</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>C</mi><mi>o</mi><msub><mi>O</mi><mn>6</mn></msub></mrow></math></span> exhibits a broader peak at 75 K with <span><math><mrow><mo>Δ</mo><msub><mi>S</mi><mi>m</mi></msub></mrow></math></span> of 1.5 J/kg·K. <span><math><mrow><msub><mrow><mspace></mspace><mi>D</mi><mi>y</mi></mrow><mn>2</mn></msub><mi>F</mi><mi>e</mi><mi>O</mi><mi>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}
Pub Date : 2024-10-23DOI: 10.1016/j.ssc.2024.115734
Gustavo Dominguez-Rodríguez , Gabriel Canto , César Cab , Jorge Medina , Jorge A. Tapia
High values of stretching bond force constants (kr) and Young's moduli () 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 kr and 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 kr and values as the BNNT diameter increases, with kr 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.
{"title":"Strong stretching bond force constants and Young's moduli in boron nitride nanotubes","authors":"Gustavo Dominguez-Rodríguez , Gabriel Canto , César Cab , Jorge Medina , 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><sub><em>r</em></sub>) 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><sub><em>r</em></sub> 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><sub><em>r</em></sub> and <span><math><mrow><mi>Y</mi></mrow></math></span> values as the BNNT diameter increases, with <em>k</em><sub><em>r</em></sub> 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}
Pub Date : 2024-10-23DOI: 10.1016/j.ssc.2024.115736
Sweety Chauhan , Anuj K. Sharma , Nitin Singh Singha
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 VOC (open circuit voltage), JSC (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.
{"title":"On the performance and thermal stability of solar cell based on CIGS-Sb2S3 combination with >35 % power conversion efficiency","authors":"Sweety Chauhan , Anuj K. Sharma , 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 Sb<sub>2</sub>S<sub>3</sub> (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 Sb<sub>2</sub>S<sub>3</sub> layer using SCAPS-1D software. Our findings indicate that 200 nm Sb<sub>2</sub>S<sub>3</sub> 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<sub>OC</sub> (open circuit voltage), J<sub>SC</sub> (short circuit current density), PCE (power conversion efficiency), and fill factor (FF) are 1.069V, 42.08 mA/cm<sup>2</sup>, 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}
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.
{"title":"Electronic structure, phonons, and born effective charges in CuLaO2: A first-principles study","authors":"Mohamed Khedidji , Houssyen Yousfi , Faouzi Saib , 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 CuLaO<sub>2</sub> in its rhombohedral delafossite phase using density functional theory. Our analysis reveals that CuLaO<sub>2</sub> 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 CuLaO<sub>2</sub> 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}
Pub Date : 2024-10-22DOI: 10.1016/j.ssc.2024.115735
Abdulkarem H.M. Almawgani , Aliaa G. Mohamed , Ali Hajjiah , Haifa A. Alqhtani , May Bin-Jumah , Arafa H. Aly , Wail Al Zoubi , Mostafa R. Abukhadra , Ahmed Mehaney , Hussein A. Elsayed
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.
{"title":"Selective IR wavelengths multichannel filter based on the one-dimensional topological photonic crystals comprising hyperbolic metamaterial","authors":"Abdulkarem H.M. Almawgani , Aliaa G. Mohamed , Ali Hajjiah , Haifa A. Alqhtani , May Bin-Jumah , Arafa H. Aly , Wail Al Zoubi , Mostafa R. Abukhadra , Ahmed Mehaney , 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., PC<sub>1</sub> and PC<sub>2</sub>. PC<sub>1</sub> consists of two layers of silicon (Si) and magnesium fluoride (MgF<sub>2</sub>), while PC<sub>2</sub> contains a multilayer stack of MgF<sub>2</sub> 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 Y<sub>2</sub>O<sub>3</sub>. 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}
Pub Date : 2024-10-21DOI: 10.1016/j.ssc.2024.115724
Chuan-Jing Yang , Li-Hui Jin , Xue-Feng Dai , Wei-Jiang Gong
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 (). In contrast, when inter-arm symmetry is disrupted, this halving phenomenon is restricted to instances where , accompanied by a -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.
{"title":"Modification of Majorana leakage effect due to the presence of quantum interference","authors":"Chuan-Jing Yang , Li-Hui Jin , Xue-Feng Dai , 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}
Pub Date : 2024-10-18DOI: 10.1016/j.ssc.2024.115728
Tamanna Binte Rahman , Md Mustafizur Rahman , SM Amir-Al Zumahi , Md Rasidul Islam , M Mahbubur Rahman
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.
在本报告中，我们利用第一原理密度泛函理论计算研究了-6%到+6%的压缩和拉伸应变对CH3NH3PbI3（甲基三碘化铅，以下简称MAPbI3）包晶的结构、光学和电子特性的影响。在电子带结构的 R 点，未受约束的平面 CH3NH3PbI3 分子在无自旋轨道耦合（SOC）效应和有自旋轨道耦合（SOC）效应时的直接电子带隙分别为 1.6744 eV 和 0.5187 eV。由于自旋轨道耦合效应，CH3NH3PbI3 包晶的带隙随着拉伸应变的增加而增大。相反，带隙随着压缩应变的增加而减小。状态密度（DOS）和投影状态密度（PDOS）/总状态密度（TDOS）表明，MAPbI3 包晶的价带和导带分别由 I-p 轨道和 Pb-p 轨道控制。光学研究证明，CH3NH3PbI3 包晶在 2 eV-2.75 eV 的光子能量区具有很强的吸收能力。随着压缩应变的增加，介电函数的主峰向较低的光子能量移动（红移效应）。然而，在加入拉伸应变后，介电函数峰值发生了蓝移。研究表明，SOC 显著改变了电子能带结构，从而导致了包晶结构现象的改变。此外，SOC 引起的介电响应变化突出了它在塑造材料特性方面的作用。这项全面的研究为潜在操纵 MAPbI3 包晶提高光伏和光电应用中的器件性能提供了基本见解。
{"title":"Strain-tuned structural, optoelectronic and dielectric properties of cubic MAPbI3 perovskite driven by SOC using first-principles theory","authors":"Tamanna Binte Rahman , Md Mustafizur Rahman , SM Amir-Al Zumahi , Md Rasidul Islam , 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 CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> (Methylammonium lead triiodide, hereafter MAPbI<sub>3</sub>) perovskite. At the R-point of electronic band structures, the unstrained planar CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> 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 CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> 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 MAPbI<sub>3</sub> perovskite are controlled by I-p orbitals and Pb-p orbitals, respectively. The CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> 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 MAPbI<sub>3</sub> 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}
Pub Date : 2024-10-16DOI: 10.1016/j.ssc.2024.115727
Chengwei Lu, S.W. Fan
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.
{"title":"GGA+U study the effects of strains on magnetism, elastic properties and electronic structures of Heusler alloy Pd2FeCu","authors":"Chengwei Lu, 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 Pd<sub>2</sub>FeCu are calculated by GGA + U method. The impact of strains on the magnetism of Pd<sub>2</sub>FeCu is evaluated. The magnetism without and with spin-orbit coupling (SOC) effect under diverse strain are examined. The results show that Pd<sub>2</sub>FeCu is a ferromagnetic metal with good ductility and mechanical stability. The SOC effect has a negligible impact on the atomic magnetic moment of Pd<sub>2</sub>FeCu. When the compressive and tensile strains are imposed, the ferromagnetic metal properties still keep, and the Curie temperature of Pd<sub>2</sub>FeCu is higher than room temperature. The ferromagnetism for Pd<sub>2</sub>FeCu 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}
Pub Date : 2024-10-16DOI: 10.1016/j.ssc.2024.115726
V.F. Mitin
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.
我们介绍了通过真空蒸发在半绝缘 GaAs（100）衬底上生长的重掺杂和完全补偿 Ge 薄膜的电学特性。这些薄（∼100 nm）的 Ge 薄膜是单晶体，并通过温度相关的输运测量进行了表征，具有异常大的活化能（达到 Ge 带隙的一半）、横向磁阻的各向异性、高电阻率（高达 140 Ω cm）、低自由电荷载流子迁移率（∼50 cm2/V-s）和浓度（∼1014-1015 cm-3）。这种行为归因于掺入镓和砷杂质以及大规模电位波动所产生的完全补偿半导体。分析表明，Ge-on-GaAs 异质结构中存在一种二维渗流传输机制。
{"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 cm<sup>2</sup>/V·s), and concentration (∼10<sup>14</sup>–10<sup>15</sup> cm<sup>−3</sup>). 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}
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