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International Advisory Board 国际顾问委员会
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-11-01 DOI: 10.1016/S2211-3797(24)00731-9
{"title":"International Advisory Board","authors":"","doi":"10.1016/S2211-3797(24)00731-9","DOIUrl":"10.1016/S2211-3797(24)00731-9","url":null,"abstract":"","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108046"},"PeriodicalIF":4.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142664077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
First-principles investigation of electronic, magnetic, and optical properties of FeMnSb/GaZ (Z = As or P) interfaces 对 FeMnSb/GaZ(Z = As 或 P)界面的电子、磁性和光学特性的第一性原理研究
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-11-01 DOI: 10.1016/j.rinp.2024.108024
Iltaf Muhammad , Muhammad Mushtaq , Naeem Ullah , Shehzad Ahmed , Arzoo Hassan , Xiaoqing Tian , Yong Wang , M. Khalid Hossain
{"title":"First-principles investigation of electronic, magnetic, and optical properties of FeMnSb/GaZ (Z = As or P) interfaces","authors":"Iltaf Muhammad ,&nbsp;Muhammad Mushtaq ,&nbsp;Naeem Ullah ,&nbsp;Shehzad Ahmed ,&nbsp;Arzoo Hassan ,&nbsp;Xiaoqing Tian ,&nbsp;Yong Wang ,&nbsp;M. Khalid Hossain","doi":"10.1016/j.rinp.2024.108024","DOIUrl":"10.1016/j.rinp.2024.108024","url":null,"abstract":"<div><div>We systematically investigated the electronic, magnetic, and optical properties of the FeMnSb half-Heusler alloy, its (001) surface, and its interfaces with GaAs and GaP semiconductors by using first-principles calculations based on density functional theory. The bulk FeMnSb reveals its half-metallic ferrimagnetism with 100% spin-polarization. Extending this study to the (001) surface, we uncover distinct electronic and magnetic behaviors for Fe- and MnSb-terminated surfaces, the MnSb-terminated surface preserving the half-metallicity observed in the bulk material. Our evaluation of the interfaces exhibits positive work of separation, indicating that these interfaces are energetically favorable. The density of states analysis reveals that all interfaces exhibit a metallic nature. High spin-polarization values, particularly 97.316% for the Fe-Ga interface, suggest a substantial degree of spin-polarized current. Notably, the absorption coefficient peaks shift from the ultraviolet (UV) region in the bulk alloy to the visible region at the (001) surfaces. However, at the FeMnSb/GaAs and FeMnSb/GaP interfaces, the highest absorption peaks revert to the UV region, highlighting strong interfacial coupling effects. These results suggest the tunability of FeMnSb optical properties via surface termination and interface engineering, making it a promising candidate for spintronic and optoelectronic applications.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108024"},"PeriodicalIF":4.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
On-demand design of holographic metasurfaces and continuous phase and amplitude modulation method based on deep learning 基于深度学习的全息元曲面按需设计及连续相位和振幅调制方法
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-11-01 DOI: 10.1016/j.rinp.2024.108026
Zheyu Hou , Pengyu Zhang , Sixue Chen , Jingjing Wang , Yihang Qiu , Tingting Tang , Chaoyang Li , Jian Shen
{"title":"On-demand design of holographic metasurfaces and continuous phase and amplitude modulation method based on deep learning","authors":"Zheyu Hou ,&nbsp;Pengyu Zhang ,&nbsp;Sixue Chen ,&nbsp;Jingjing Wang ,&nbsp;Yihang Qiu ,&nbsp;Tingting Tang ,&nbsp;Chaoyang Li ,&nbsp;Jian Shen","doi":"10.1016/j.rinp.2024.108026","DOIUrl":"10.1016/j.rinp.2024.108026","url":null,"abstract":"<div><div>Metasurfaces have shown unique application value in the field of holography due to its outstanding ability to manipulate electromagnetic waves. However, improving the design efficiency and imaging quality remains a challenging task. In this work, we propose a deep learning method that can design holographic metasurface structures on demand, with the Mean Absolute Error (MAE) of 0.04 for both amplitude and phase. We utilize this method to inverse design all-silicon-based metasurfaces operating in the terahertz range, achieving a MAE of 0.015 for two target images. This method not only significantly enhances the design efficiency of holographic metasurfaces but also enables continuous modulation of both phase and amplitude. Consequently, it greatly improves both the design efficiency and imaging quality of holographic metasurfaces, providing a new direction for their design.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108026"},"PeriodicalIF":4.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554852","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Chirally-symmetric-like unconventional magnon blockade in a dissipative cavity-magnon system 耗散空腔-磁子系统中的类手性对称非常规磁子封锁
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-11-01 DOI: 10.1016/j.rinp.2024.108023
Long-jiang Cong , Yi-Xiong Luo , Zhi-Peng Cheng , Rong-Bo Du , Hong-Yu Liu , Rong-Can Yang , Ying Ming
{"title":"Chirally-symmetric-like unconventional magnon blockade in a dissipative cavity-magnon system","authors":"Long-jiang Cong ,&nbsp;Yi-Xiong Luo ,&nbsp;Zhi-Peng Cheng ,&nbsp;Rong-Bo Du ,&nbsp;Hong-Yu Liu ,&nbsp;Rong-Can Yang ,&nbsp;Ying Ming","doi":"10.1016/j.rinp.2024.108023","DOIUrl":"10.1016/j.rinp.2024.108023","url":null,"abstract":"<div><div>We present a theoretically versatile and controllable framework for realizing chirally-symmetric-like unconventional magnon blockade within a cavity-magnon system composed of a yttrium iron garnet sphere and a cross-line microwave circuit, where the cavity mode is driven by a two-photon driving field. Under optimal conditions regarding the driving strength and phase of this two-photon field, we observe that magnon blockade exhibits chiral-like symmetry even in high-dissipation scenarios. However, the introduction of coherent coupling leads to energy level splitting that counteracts the energy level attraction induced by dissipative coupling, thereby diminishing the blockade effect. Furthermore, we clarify that the energy level attraction resulting from dissipative coupling remains invariant with respect to variations in the phase of this coupling coefficient. Our approach offers promising applications for tunable single-magnon sources and quantum information processing.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108023"},"PeriodicalIF":4.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142664078","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Toward tailored light absorption manipulation by Kerr nonlinear nanoslits within a grating Fabry-Perot cavity coupled with reconfigurable GST225 material 在与可重构 GST225 材料耦合的光栅法布里-珀罗腔内,通过克尔非线性纳米its 实现量身定制的光吸收操纵
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-11-01 DOI: 10.1016/j.rinp.2024.108028
Arezou Rashidi
{"title":"Toward tailored light absorption manipulation by Kerr nonlinear nanoslits within a grating Fabry-Perot cavity coupled with reconfigurable GST225 material","authors":"Arezou Rashidi","doi":"10.1016/j.rinp.2024.108028","DOIUrl":"10.1016/j.rinp.2024.108028","url":null,"abstract":"<div><div>In this paper, we investigate the absorption tunability of a silver plasmonic grating incorporating Kerr-type nonlinear graphene-oxide (GO) nanoslits and Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub> (GST225) phase-change material at telecom wavelengths. The linear absorption spectra reveal that the amorphous GST225 grating exhibits two distinct absorption peaks, while half-crystallization leads to a single pronounced peak, and full crystallization results in a redshifted peak with a slightly decreased value. These findings confirm that the crystalline degree of GST225 significantly modulates the absorption characteristics. Upon exposure to a nanosecond Gaussian pulse laser irradiation with appropriate fluences, the electric field confinement within the nanoslits intensifies, particularly at the center of the pulse, leading to a pronounced absorption adjustment due to Kerr nonlinearity. Temporal examination at the L-band wavelength of 1591.5 <em>nm</em> reveals a U-shaped absorption response for both amorphous and crystalline GST225, with a pronounced dip at the pulse’s peak. In the half-crystallized state, the weak linear absorption can be substantially enhanced at both the leading and trailing edges of the pulse, with a dip at the center, illustrating the Kerr nonlinearity within the GO nanoslits. The dynamic behavior of absorption under different laser fluences underscores the potential of this system for high-contrast optical switching. Our results offer insights into the development of reconfigurable optical switches utilizing nonlinear Kerr effects, paving the way for advancements in tunable optical communication technologies.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108028"},"PeriodicalIF":4.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142573234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Merging bound states in the continuum at third-order Γ point enabled by controlling Fourier harmonic components in lattice parameters 通过控制晶格参数中的傅里叶谐波分量,在三阶Γ点合并连续体中的束缚态
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-11-01 DOI: 10.1016/j.rinp.2024.108021
Sun-Goo Lee , Seong-Han Kim , Wook-Jae Lee
{"title":"Merging bound states in the continuum at third-order Γ point enabled by controlling Fourier harmonic components in lattice parameters","authors":"Sun-Goo Lee ,&nbsp;Seong-Han Kim ,&nbsp;Wook-Jae Lee","doi":"10.1016/j.rinp.2024.108021","DOIUrl":"10.1016/j.rinp.2024.108021","url":null,"abstract":"<div><div>Recent studies have demonstrated that ultrahigh-<span><math><mi>Q</mi></math></span> resonances, which are robust to fabrication imperfections, can be realized by merging multiple bound states in the continuum (BICs) in momentum space. The merging of multiple BICs holds significant promise for practical applications, providing a robust means to attain ultrahigh-<span><math><mi>Q</mi></math></span> resonances that greatly enhance light–matter interactions. In this study, we introduce a novel approach to achieve the merging of BICs at the edges of the fourth stop band, which opens at the third-order <span><math><mi>Γ</mi></math></span> point, in one-dimensional leaky-mode photonic lattices. Photonic band gaps and BICs arise from periodic modulations in lattice parameters. However, near the third-order <span><math><mi>Γ</mi></math></span> point, out-of-plane radiation arises by the first and second Fourier harmonic components in the lattice parameters. Accidental BICs can emerge at specific <span><math><mi>k</mi></math></span> points where an optimal balance exists between these two Fourier harmonic components. We demonstrate that these accidental BICs are topologically stable, and their positions in momentum space can be precisely controlled by adjusting a specific lattice parameter that influences the strength of the first and second Fourier harmonic components. Furthermore, we show that accidental BICs can be merged at the third-order <span><math><mi>Γ</mi></math></span> point, with or without a symmetry-protected BIC, by finely adjusting this specific lattice parameter while keeping other parameters constant.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108021"},"PeriodicalIF":4.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142573235","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Optical trapping forces exerted by a pulsed Hermite–Gaussian beam on a dielectric nanosphere 脉冲赫米特-高斯光束对电介质纳米球施加的光学捕获力
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-10-24 DOI: 10.1016/j.rinp.2024.108020
M.A. Shukri, F.M. Thabit
{"title":"Optical trapping forces exerted by a pulsed Hermite–Gaussian beam on a dielectric nanosphere","authors":"M.A. Shukri,&nbsp;F.M. Thabit","doi":"10.1016/j.rinp.2024.108020","DOIUrl":"10.1016/j.rinp.2024.108020","url":null,"abstract":"<div><div>An analytical expression for the optical forces exerted by a pulsed Hermite–Gaussian (HG) beam on a nano-dielectric sphere has been derived. This allows us to investigate how the forces are affected by different beam modes <span><math><mrow><mo>(</mo><mi>p</mi><mo>,</mo><mi>l</mi><mo>)</mo></mrow></math></span> and the duration of the light pulse <span><math><mrow><mo>(</mo><mi>τ</mi><mo>)</mo></mrow></math></span>. Our findings demonstrate that these factors significantly influence the strength of the forces, the number of regions where the sphere can be trapped, and the size of these trapping zones. This knowledge paves the way for precise control of these tiny particles with light, potentially leading to improved techniques for trapping and sorting nanoparticles.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108020"},"PeriodicalIF":4.4,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142534478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Ultra-sensitivity of surface plasmon resonance sensor using halide perovskite FASnI3 and 2D materials on Cu thin films 在铜薄膜上使用卤化物过氧化物 FASnI3 和二维材料的超灵敏表面等离子体共振传感器
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-10-24 DOI: 10.1016/j.rinp.2024.108004
H. Bouandas , Y. Slimani , A. Bakhouche , N. Bioud , A. Djemli , Faisal Katib Alanazi , I. Bouchama , M.A. Ghebouli , M. Fatmi , T. Chihi
{"title":"Ultra-sensitivity of surface plasmon resonance sensor using halide perovskite FASnI3 and 2D materials on Cu thin films","authors":"H. Bouandas ,&nbsp;Y. Slimani ,&nbsp;A. Bakhouche ,&nbsp;N. Bioud ,&nbsp;A. Djemli ,&nbsp;Faisal Katib Alanazi ,&nbsp;I. Bouchama ,&nbsp;M.A. Ghebouli ,&nbsp;M. Fatmi ,&nbsp;T. Chihi","doi":"10.1016/j.rinp.2024.108004","DOIUrl":"10.1016/j.rinp.2024.108004","url":null,"abstract":"<div><div>This paper studies a novel surface plasmon resonance (SPR) biosensor using a BK7 glass prism, a copper (Cu) metal plasmonic layer, which combine a halide perovskite (FASnI3) with two-dimensional (2D) materials such as phosphorus black, graphene and TMDC (MoS<sub>2</sub>, MoSe<sub>2</sub>, WS<sub>2</sub>, WSe<sub>2</sub>) for the detection of breast cancer cells. We have optimized the thickness of each layer in order to obtain maximum sensitivity. A numerical study mainly uses the transfer matrix principle, while the attenuation total reflection method involves examining the reflection properties. The evaluation of SPR biosensor configurations serves to obtain optimal performance. The simulation results indicate that the integration of halide perovskite (FASnI3) and 2D materials into the BK7/Cu/medium sensing structure significantly improves the sensitivity and figure of merit (ZT). The outstanding results in terms of sensor performance characteristics are observed in the BK7/Cu (48 nm)/FASnI3 (5 nm)/BP (0.53 nm) configuration. The figure of merit and sensitivity estimated at 123.11 RIU<sup>−1</sup> and 459.28°/RIU, with a notable improvement of 338.45 %.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108004"},"PeriodicalIF":4.4,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142534479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Electrical properties of ZnO-modified Li(Nb,Ti)O3 composite ceramics and their application in microwave dielectric resonators 氧化锌改性 Li(Nb,Ti)O3 复合陶瓷的电学特性及其在微波介质谐振器中的应用
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-10-24 DOI: 10.1016/j.rinp.2024.108025
Radoš R. Raonić , Dalibor L. Sekulić , Ondrej Bošák , Marian Kubliha , Roman Yatskiv , Jaroslav Maixner , Tamara B. Ivetić
{"title":"Electrical properties of ZnO-modified Li(Nb,Ti)O3 composite ceramics and their application in microwave dielectric resonators","authors":"Radoš R. Raonić ,&nbsp;Dalibor L. Sekulić ,&nbsp;Ondrej Bošák ,&nbsp;Marian Kubliha ,&nbsp;Roman Yatskiv ,&nbsp;Jaroslav Maixner ,&nbsp;Tamara B. Ivetić","doi":"10.1016/j.rinp.2024.108025","DOIUrl":"10.1016/j.rinp.2024.108025","url":null,"abstract":"<div><div>The present study shows the combustion-assisted solid-state synthesis of ZnO-modified Li(Nb,Ti)O<sub>3</sub> ceramics for potential use in microwave dielectric resonators. The changes in microstructure and dielectric properties caused by the addition of ZnO were analyzed in detail. Using scanning electron microscopy, the characteristic microstructure consisting of anisotropic grains in the form of rods and plates was confirmed. At the same time, X-ray diffraction measurements confirmed the formation of polycrystalline ZnO-modified Li(Nb,Ti)O<sub>3</sub> composites with the main structure of <em>M</em>−phase type and the appearance of a new Li<sub>1.33</sub>Zn<sub>2</sub>Ti<sub>2.67</sub>O<sub>8</sub> phase. Increasing wt% ZnO slightly increases the bulk density and intensifies the peaks of the secondary phase in the X-ray diffraction patterns. The impedance responses of the ZnO-modified Li(Nb,Ti)O<sub>3</sub> composites were recorded at different temperatures and the obtained experimental data in all cases describe only one semicircle of different diameters, the size of which depends on the temperature and wt% ZnO. By fitting the impedance spectra, it was determined that the changes in grain boundary resistance of all samples with increasing temperature are characterized by a negative temperature coefficient of resistance behavior, which agrees with the very high measured values of direct resistance at room temperature. Finally, optimal microwave performance with good temperature stability was obtained for a cylindrical resonator based on a Li(Nb,Ti)O<sub>3</sub> composite ceramic modified with 5 wt% ZnO which has a dielectric constant of <span><math><mrow><msub><mi>ε</mi><mi>r</mi></msub><mo>=</mo><mn>58.1</mn></mrow></math></span> and <span><math><mrow><mi>Q</mi><mo>×</mo><mi>f</mi><mo>=</mo><mn>43856</mn><mspace></mspace><mi>GHz</mi></mrow></math></span> at a resonant frequency of <span><math><mrow><mn>9.85</mn><mspace></mspace><mi>G</mi><mi>H</mi><mi>z</mi></mrow></math></span>, and a temperature coefficient of the resonant frequency of around <span><math><mrow><mo>-</mo><mn>14.1</mn><mspace></mspace><mi>p</mi><mi>p</mi><mi>m</mi><msup><mo>/</mo><mo>°</mo></msup><mi>C</mi></mrow></math></span>.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108025"},"PeriodicalIF":4.4,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142534476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
First-principles calculations to investigate Electronic, Optical, Mechanical, and transport characteristics of novel A2BAuCl6 (A = K/Rb/Cs; B = Sc/Y) 通过第一性原理计算研究新型 A2BAuCl6(A = K/Rb/Cs;B = Sc/Y)的电子、光学、机械和传输特性
IF 4.4 2区 物理与天体物理
Results in Physics Pub Date : 2024-10-22 DOI: 10.1016/j.rinp.2024.108017
Nabeel Israr , Faisal Alresheedi , Muhammad Saeed , Aijaz Rasool Chaudhry , Muhammad Awais Jehangir , G. Murtaza
{"title":"First-principles calculations to investigate Electronic, Optical, Mechanical, and transport characteristics of novel A2BAuCl6 (A = K/Rb/Cs; B = Sc/Y)","authors":"Nabeel Israr ,&nbsp;Faisal Alresheedi ,&nbsp;Muhammad Saeed ,&nbsp;Aijaz Rasool Chaudhry ,&nbsp;Muhammad Awais Jehangir ,&nbsp;G. Murtaza","doi":"10.1016/j.rinp.2024.108017","DOIUrl":"10.1016/j.rinp.2024.108017","url":null,"abstract":"<div><div>By utilizing FP-LAPW, the structure, electronic, optical, mechanical and Transport characteristic of A<sub>2</sub>BAuCl<sub>6</sub> (A = K/Rb/Cs, B = Sc/Y) were examined by using DFT. The analysis to the band structure plot of the Halide double perovskites (HDP’s) being studied indicated the existence of indirect band-gaps. The compounds A<sub>2</sub>BAuCl<sub>6</sub> (A = K/Rb/Cs, B = Sc/Y) exhibit anisotropic properties, except one compound as seen by their respective shear anisotropy readings of 0.629, 0.532, 1.006, 0.682, 0.803 and 0.977. The materials have inherent ductility, as indicated by their calculated Poisson’s ratios in the range of 0.30 to 0.35. The examined (HDP’s) materials appear to possess indirect band-gaps, as indicated by the band structure plots. The functional inorganic perovskites A<sub>2</sub>BAuCl<sub>6</sub> (A = K/Rb/Cs, B = Sc/Y) haven’t similar band-gap values, as determined using the TB-mBJ (modified Becke Johnson) and TB-mBJ + Soc (Spin orbital coupling) assumptions. The visible and ultraviolet domain have prominent peaks, suggesting potential applications of the compounds in solar cells. Moreover, examination of additional optical characteristics such as reflectivity, conductivity, electron energy loss, and absorption coefficients suggest that it possesses the inherent features of a semiconductor. The maximum figure of merit for all the student compounds is above 0.74. The simulated output forms the foundation for A<sub>2</sub>BAuCl<sub>6</sub> (A = K/Rb/Cs, B = Sc/Y) and are of practical importance for multijunction solar cells.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"66 ","pages":"Article 108017"},"PeriodicalIF":4.4,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142539106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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