Physica B-condensed Matter最新文献

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Enhanced optoelectronic properties of Ca and S-doped HgSe (Hg1−xCaxSxSe1−x) compounds for photovoltaic applications
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-18 DOI: 10.1016/j.physb.2025.417106
Yogesh Kumar Sahu , Shrivishal Tripathi , Punya Prasanna Paltani
{"title":"Enhanced optoelectronic properties of Ca and S-doped HgSe (Hg1−xCaxSxSe1−x) compounds for photovoltaic applications","authors":"Yogesh Kumar Sahu ,&nbsp;Shrivishal Tripathi ,&nbsp;Punya Prasanna Paltani","doi":"10.1016/j.physb.2025.417106","DOIUrl":"10.1016/j.physb.2025.417106","url":null,"abstract":"<div><div>In optoelectronics, dopants play a crucial role in modulating material properties, as they directly influence the structural characteristics. This study investigates the structural, electronic, and optical properties of Hg<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>Ca<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>Se<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> compounds at various Ca and S concentrations (<span><math><mrow><mi>x</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>0</mn><mo>,</mo><mn>0</mn><mo>.</mo><mn>25</mn><mo>,</mo><mn>0</mn><mo>.</mo><mn>50</mn><mo>,</mo><mn>0</mn><mo>.</mo><mn>75</mn><mo>,</mo><mn>1</mn></mrow></math></span>), using density functional theory (DFT) with the GGA-PBE approach. While semiconductor materials like HgSe are crucial for optoelectronic applications, the combined effects of Ca and S substitution are not well explored. This presents a gap in understanding how these dopants affect the material’s properties, especially in the visible spectrum. Our study addresses this by systematically analyzing the effects of Ca and S doping on the structure, band gap, and optical properties. We find that increasing Ca and S content widens the direct band gap at the <span><math><mi>Γ</mi></math></span>-point. The compounds also exhibit strong absorption, low reflectivity, and low loss function, enhancing their suitability in photovoltaic and optoelectronic applications than the state of the art. This work provides key insights into optimizing Hg<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>Ca<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>Se<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>S<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> for next-generation devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417106"},"PeriodicalIF":2.8,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A tunable broadband-binary photonic crystal detector for the detection of organic chemical compounds 用于检测有机化合物的可调宽带二元光子晶体探测器
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-18 DOI: 10.1016/j.physb.2025.417158
Malek G. Daher , Youssef Trabelsi
{"title":"A tunable broadband-binary photonic crystal detector for the detection of organic chemical compounds","authors":"Malek G. Daher ,&nbsp;Youssef Trabelsi","doi":"10.1016/j.physb.2025.417158","DOIUrl":"10.1016/j.physb.2025.417158","url":null,"abstract":"<div><div>In this work, we theoretically investigate the reflectance property of 1D defective photonic crystal with inserted defect of infiltrated cavity layer. The structure of the proposed 1D defect layer photonic crystal sensor consists of a cavity layer sandwiched between alternate layers of GaAs and SiO<sub>2</sub> periodically organized and designed as [(A<sub>1</sub>A<sub>2</sub>)<sup>3</sup>/C/(A<sub>1</sub>A<sub>2</sub>)<sup>3</sup>]. With, A<sub>1</sub>, A<sub>2</sub> and C refer to the GaAs layer, SiO<sub>2</sub> layer and infiltrated cavity layers, respectively. The insert cavity layer consists of different organic chemical compounds (OCCs) such that Pentane, n-Hexane, n-Heptane and n-Octane. The reflectance spectra with the optimized structural parameters show two adjacent photonic band gaps (PBGs) separated by a defect mode with reflectance zero. By increasing the defect refractive index of the organic materials infiltrated into the cavity region up to 1.39 (refractive index of n-Octane), the defect mode wavelength shifted towards a higher value. It has been shown that the localized defect mode within the structure can detect minute refractive index changes based on the type of chemical compound. By increasing the incident angle the structure exhibited a sensitivity that varies between a 725.5 nm/RIU at θ = 0<sup>o</sup> and a 1039 nm/RIU for θ = 80<sup>o</sup> and reached the value of 2672.5nm/RIU at a thickness of 600 nm of incorporated Pentane cavity layer. Also, the quality factor and figure of merit were calculated to show the sensing capabilities further. Compared to recently published works, the current OCC biosensor based on 1D binary photonic crystal detector reached the highest sensitivity. It showed an excellent performance that can be useful for sensing applications in the industrial and biochemical fields.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"707 ","pages":"Article 417158"},"PeriodicalIF":2.8,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143734960","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optical and transport proprieties of γ-NaBeAs half-Heusler material for green energy harvesting applications
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-18 DOI: 10.1016/j.physb.2025.417135
Y. Toual , S. Mouchou , B. Fakrach , A. Azouaoui , K. Bouslykhane , R. Masrour , A. Rezzouk , A. Hormatallah , N. Benzakour
{"title":"Optical and transport proprieties of γ-NaBeAs half-Heusler material for green energy harvesting applications","authors":"Y. Toual ,&nbsp;S. Mouchou ,&nbsp;B. Fakrach ,&nbsp;A. Azouaoui ,&nbsp;K. Bouslykhane ,&nbsp;R. Masrour ,&nbsp;A. Rezzouk ,&nbsp;A. Hormatallah ,&nbsp;N. Benzakour","doi":"10.1016/j.physb.2025.417135","DOIUrl":"10.1016/j.physb.2025.417135","url":null,"abstract":"<div><div>This study investigates the structural, dynamic, mechanical, thermodynamic, electronic, optical and transport properties of NaBeAs using first principles calculations based on density functional theory, coupled with the semi-classical Boltzmann transport theory. The results reveal that NaBeAs is stable structurally, dynamically, mechanically and thermodynamically in the <span><math><mi>γ</mi></math></span> phase but unstable in other phases <span><math><mi>α</mi></math></span> and <span><math><mi>β</mi></math></span>. The stabilities were assessed using phonon spectrum evaluations, compliance with elastic constant criteria, and calculations of the formation energy (<span><math><mrow><mi>Δ</mi><msub><mrow><mi>H</mi></mrow><mrow><mi>f</mi></mrow></msub></mrow></math></span>). The electronic properties show a direct band gap of 1.51 eV, confirming the material’s semiconducting nature. NaBeAs exhibits unique optical features, such as a high refractive index, excellent external quantum efficiency (<span><math><msup><mrow><mi>η</mi></mrow><mrow><mi>O</mi><mi>p</mi><mi>t</mi></mrow></msup></math></span>= 58.84 %), low reflectivity in the visible spectrum ( R(<span><math><mi>ω</mi></math></span>) <span><math><mo>&lt;</mo></math></span> 50%), and strong ultraviolet absorption (<span><math><mrow><msub><mrow><mi>α</mi></mrow><mrow><mi>m</mi><mi>a</mi><mi>x</mi></mrow></msub><mrow><mo>(</mo><mi>ω</mi><mo>)</mo></mrow></mrow></math></span> <span><math><mrow><mo>≈</mo><mn>1</mn><mo>.</mo><mn>75</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>6</mn></mrow></msup></mrow></math></span>cm<span><math><msup><mrow></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>). Temperature- and carrier concentration-dependent thermoelectric properties were also analyzed. A new n-type NaBeAs alloy has been discovered, showing a high figure of merit (zT) close to unity (zT <span><math><mo>∼</mo></math></span> 1) at 300 K and a thermoelectric power conversion efficiency of <span><math><msup><mrow><mi>η</mi></mrow><mrow><mi>T</mi><mi>E</mi></mrow></msup></math></span> = 16.58 % with a 700 K temperature gradient. The results present a theoretical basis for upcoming experimental studies of this alloy, emphasizing its potential for green energy harvesting applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417135"},"PeriodicalIF":2.8,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optical and electrical analysis of poly(3,4-ethylenedioxythiophene): poly(4-styrenesulfonate) PEDOT:PSS films and characterizations of stretching memory loops based on ITO/PEDOT:PSS/Ag memristor devices
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-17 DOI: 10.1016/j.physb.2025.417153
Ahmed M. Nawar , Obaidallah A. Algethami , I. Zaied , Naif Ahmed Alshehri
{"title":"Optical and electrical analysis of poly(3,4-ethylenedioxythiophene): poly(4-styrenesulfonate) PEDOT:PSS films and characterizations of stretching memory loops based on ITO/PEDOT:PSS/Ag memristor devices","authors":"Ahmed M. Nawar ,&nbsp;Obaidallah A. Algethami ,&nbsp;I. Zaied ,&nbsp;Naif Ahmed Alshehri","doi":"10.1016/j.physb.2025.417153","DOIUrl":"10.1016/j.physb.2025.417153","url":null,"abstract":"<div><div>Herein, PEDOT:PSS thin films are successfully fabricated using spin-coating Technique. The particle size distributions were analyzed, and the average particle size was around 6.85 ± 0.023 μm. The electrical resistivity of the fabricated films is characterized at temperatures from 300 to 423k by using a standard four-point probe method. The calculated activation energy decreases from 0.546 ± 0.004 to 0.521 ± 0.006 eV as the film thickness increases from 400 to 532 nm, respectively. The observed decrements in resistance with an increase in temperature suggest that the PEDOT:PSS films may help fabricate negative thermistor NTC applications. The sensitivity factor decreased from 6.9 to 3.5 with the increase in temperature from 300 to 423k, respectively. For manufacturing a thermistor with good performance, a suitable material can have a sensitivity parameter α with values between 1 % and 9 %. The spectrophotometric optical properties of the fabricated films are characterized by using the Reflectance and Transmittance at normal incidence. The investigated optical transitions are direct; the lowest is at the optical gap equal to 0.403 eV, and the other is the bandgap and is equal to 3.773 eV. The analyzed real dielectric constant elucidates a negative permittivity at lower energies less than 1.9 eV. The electrical characteristic hysteresis loop of the fabricated ITO/PEDOT:PSS/Ag device reveals a direct proportional stretching relationship between the range of biasing voltage and the area of the nonlinear hysteresis loops. The obtained experimental data elucidates that the estimated resistance of the fabricated ITO/PEDOT:PSS/Ag device is equivalent to the memristor behaviour of two different Low and High Resistance states.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417153"},"PeriodicalIF":2.8,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143725942","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Device engineering for high-performance OLEDs based on 4CzPN thermally activated delayed fluorescent emitter
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-17 DOI: 10.1016/j.physb.2025.417156
Yifan Chen , Zhaoyue Lü , Chen Shen , Zifeng Wang , Lijiang Zhang , Junling Wang
{"title":"Device engineering for high-performance OLEDs based on 4CzPN thermally activated delayed fluorescent emitter","authors":"Yifan Chen ,&nbsp;Zhaoyue Lü ,&nbsp;Chen Shen ,&nbsp;Zifeng Wang ,&nbsp;Lijiang Zhang ,&nbsp;Junling Wang","doi":"10.1016/j.physb.2025.417156","DOIUrl":"10.1016/j.physb.2025.417156","url":null,"abstract":"<div><div>The electroluminescent performance and luminescent dynamics of devices are explored in depth via doping and host engineering, where thermally activated delayed fluorescent (TADF) material 3,4,5,6-tetrakis(carbazol-9-yl)-1,2-dicyanobenzene (4CzPN) serves as the emitter. The evolution of the exciton recombination zone with different hosts is discussed. In the case of TCTA host, the recombination zone is situated near the EML/ETL interface, resulting in the formation of various excitons, including monomer exciton, electroplex as well as electromer. The competition among these radiative pathways detrimentally affects the device performance and should be circumvented in the design of device structures. The mCP-hosted device provides the best performance with the highest efficiencies of 31.3 cd/A, 15.8 lm/W and 9.13 % due to its efficient energy transfer and balanced charge carrier mobilities. This study emphasizes that device engineering is an effective strategy for manipulating exciton recombination region and energy transfer, thus promoting the development of high performance TADF-based OLEDs.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417156"},"PeriodicalIF":2.8,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143644183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Phase field crystal model simulation of transonic dislocations and mode Ⅱ crack propagation
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-17 DOI: 10.1016/j.physb.2025.417154
Zheng Zhong , Yongfeng Huang , Yibo Gao , Run Li , Songlin Yao , Kun Wang , Wenjun Zhu , Wangyu Hu
{"title":"Phase field crystal model simulation of transonic dislocations and mode Ⅱ crack propagation","authors":"Zheng Zhong ,&nbsp;Yongfeng Huang ,&nbsp;Yibo Gao ,&nbsp;Run Li ,&nbsp;Songlin Yao ,&nbsp;Kun Wang ,&nbsp;Wenjun Zhu ,&nbsp;Wangyu Hu","doi":"10.1016/j.physb.2025.417154","DOIUrl":"10.1016/j.physb.2025.417154","url":null,"abstract":"<div><div>The mobility law of an edge dislocation under high strain rates is studied using the phase field crystal model. The transonic dislocation previously accessible only by molecular dynamics method is observed. It is found that there exists a threshold shear stress associated with the dislocation velocity transition from the subsonic to the transonic one. Upon reaching such threshold, stress at the dislocation rear decreases, emitting a decaying shear wave and establishing a dynamic equilibrium between driving forces and energy dissipation. Further, effects of strain rates and crystallographic orientations on crack propagation are explored. At presence of a void, the void located at a position deviating an angle of 45° from the crack plane is the most likely to merge with the crack. Two mechanisms, i.e., new void or crack mediated growth and attraction through directional growth, contribute to the merging.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417154"},"PeriodicalIF":2.8,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686716","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Elucidating of Er211 performance in (Y,Er)Ba2Cu3Oy single-grain bulk superconductors by infiltration growth process
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-17 DOI: 10.1016/j.physb.2025.417152
Aliah Nursyahirah Kamarudin , Muralidhar Miryala , Mohd Mustafa Awang Kechik , Soo Kien Chen , Kean Pah Lim , Mohd Hamzah Harun , Muhammad Kashfi Shabdin , Muhammad Khalis Abdul Karim , Abdul Halim Shaari
{"title":"Elucidating of Er211 performance in (Y,Er)Ba2Cu3Oy single-grain bulk superconductors by infiltration growth process","authors":"Aliah Nursyahirah Kamarudin ,&nbsp;Muralidhar Miryala ,&nbsp;Mohd Mustafa Awang Kechik ,&nbsp;Soo Kien Chen ,&nbsp;Kean Pah Lim ,&nbsp;Mohd Hamzah Harun ,&nbsp;Muhammad Kashfi Shabdin ,&nbsp;Muhammad Khalis Abdul Karim ,&nbsp;Abdul Halim Shaari","doi":"10.1016/j.physb.2025.417152","DOIUrl":"10.1016/j.physb.2025.417152","url":null,"abstract":"<div><div>The influence of Erbium, Er addition as an effective pinning centre on the microstructure and superconducting properties of transition temperature (<em>T</em><sub>c</sub>) and critical current density (<em>J</em><sub>c</sub>) of (Y,Er)Ba<sub>2</sub>Cu<sub>3</sub>O<sub>y</sub> (Y,Er)123 bulk superconductors were well studied. Y<sub>2</sub>BaCuO<sub>5</sub> (Y211) and Er<sub>2</sub>BaCuO<sub>5</sub> (Er211) with different ratios were prepared to produce (Y,Er)123 bulks by infiltration growth (IG) technique. The <em>T</em><sub>c</sub> for all samples exhibited a sharp drop, indicating a single superconducting transition in (Y,Er)123 with a <em>T</em><sub>c-onset</sub> around 92 K. Microstructural analysis revealed a reduction size with homogenous distribution in (Y,Er)211 non-superconducting phase particles within the (Y,Er)123 matrixes, leading to enhancement of superconducting performance. The addition of Erbium improved <em>J</em><sub>c</sub> values up to 79 kA/cm<sup>2</sup> in self-field and the maximum trapped field value was reached up to 0.3 T at 77 K. Thus, the presence of Er could provide a potential advantage in fabricating high-performance superconducting bulk materials within mixed rare earth systems.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417152"},"PeriodicalIF":2.8,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143687219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Band engineering in ZnO/MoO3 heterojunction photodetector for improved photoelectrical response toward highly rated ultraviolet radiation sensing
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-17 DOI: 10.1016/j.physb.2025.417155
Olubusayo F. Oladejo , Ghadah M. Al-Senani , Olamide A. Akintayo , Muizat G. Uthman , Salhah D. Al-Qahtani , Gbadebo I. Olatona , Saheed A. Adewinbi
{"title":"Band engineering in ZnO/MoO3 heterojunction photodetector for improved photoelectrical response toward highly rated ultraviolet radiation sensing","authors":"Olubusayo F. Oladejo ,&nbsp;Ghadah M. Al-Senani ,&nbsp;Olamide A. Akintayo ,&nbsp;Muizat G. Uthman ,&nbsp;Salhah D. Al-Qahtani ,&nbsp;Gbadebo I. Olatona ,&nbsp;Saheed A. Adewinbi","doi":"10.1016/j.physb.2025.417155","DOIUrl":"10.1016/j.physb.2025.417155","url":null,"abstract":"<div><div>In this study, heterojunction UV radiation photodetector (PD) based on ZnO nanolaminate and orthorhombic nanostructured MoO<sub>3</sub> thin film, was fabricated using a cost-effective electrochemical deposition process. Some surface structural studies unveil the deposited materials' characteristics suitable for effective photoabsorption and photoelectric charge carriers' transport. The fabricated PD demonstrated excellent UV photo-response properties, thanks to the intrinsic UV absorption characteristics of ZnO nanolaminate and enhanced charge carriers’ separation and transport properties brought through its synergistic band interaction with the MoO<sub>3</sub> underlain. The UV PD device with MoO<sub>3</sub> underlain demonstrated optimal performance with a high photocurrent compared to its counterpart (without MoO<sub>3</sub>). It exhibited high UV radiation responsivity and detectivity values of 0.7 A/W and 5.3 x 10<sup>10</sup> Jones, respectively under weak irradiation of UV (λ = 365 nm) at 0.5 mW/cm<sup>2</sup> power density. The result demonstrated the potential of ZnO/MoO<sub>3</sub> heterojunction as an excellent recipe for high-performance UV radiation detection.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417155"},"PeriodicalIF":2.8,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686754","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of stable direct bandgap inorganic double halide perovskites A2MM'X6 for photovoltaic and photocatalysis applications
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-17 DOI: 10.1016/j.physb.2025.417147
Hadeer H. AbdElAziz , Laila Saad , M.H. Khedr , Mohamed Taha
{"title":"Evaluation of stable direct bandgap inorganic double halide perovskites A2MM'X6 for photovoltaic and photocatalysis applications","authors":"Hadeer H. AbdElAziz ,&nbsp;Laila Saad ,&nbsp;M.H. Khedr ,&nbsp;Mohamed Taha","doi":"10.1016/j.physb.2025.417147","DOIUrl":"10.1016/j.physb.2025.417147","url":null,"abstract":"<div><div>This study employed density functional theory (DFT) calculations to investigate the structural, mechanical and optoelectronic properties of the double halide perovskites, A<sub>2</sub>MM'X<sub>6</sub> (A = K, Rb, Cs; M = Ag, Cu; M' = Al, Ga, In; and X = Cl, Br). The stability of twenty-six A<sub>2</sub>MM'X<sub>6</sub> was evaluated using the tolerance factor. We then performed a DFT study on the seventeen phase stable materials to predict their thermodynamic stability, mechanical and electronic properties. The phonon dispersion, decomposition energy and effective masses of the materials are computed. The bandgaps of these materials range from 1.35 to 3.66 eV. The band edge positions and optical properties (absorption coefficient, dielectric function, refractive index, reflectivity and loss function) were calculated. Two of these materials are suitable for single junction solar cells applications, three are suitable for tandem solar cells and nine of them materials may act as photocatalysts for water splitting and CO<sub>2</sub> reduction based on their electronic and optical results. Cs<sub>2</sub>AgAlBr<sub>6</sub> and Cs<sub>2</sub>AgInBr<sub>6</sub> materials are the most stable and appropriate for the application in both photovoltaic and photocatalysis applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417147"},"PeriodicalIF":2.8,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143686798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrigendum to ‘Magneto-optical conductivity in the type-I and type-II phases of Weyl/multi-Weyl semimetals’ [Physica B 656 (2023) 414765]
IF 2.8 3区 物理与天体物理
Physica B-condensed Matter Pub Date : 2025-03-12 DOI: 10.1016/j.physb.2025.417093
Shivam Yadav, Sajid Sekh, Ipsita Mandal
{"title":"Corrigendum to ‘Magneto-optical conductivity in the type-I and type-II phases of Weyl/multi-Weyl semimetals’ [Physica B 656 (2023) 414765]","authors":"Shivam Yadav,&nbsp;Sajid Sekh,&nbsp;Ipsita Mandal","doi":"10.1016/j.physb.2025.417093","DOIUrl":"10.1016/j.physb.2025.417093","url":null,"abstract":"","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417093"},"PeriodicalIF":2.8,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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