Solid State Communications最新文献

{"title":"Tunable electronic and optical properties of a Type-ⅡViolet Phosphorus/MoS2 heterojunction: First-principles calculation","authors":"Yongfa Ling ,&nbsp;Ying Lin ,&nbsp;Guangxin Zhang ,&nbsp;Xiaoyan Xuan ,&nbsp;Qi Wang ,&nbsp;Qing Liao","doi":"10.1016/j.ssc.2024.115675","DOIUrl":"10.1016/j.ssc.2024.115675","url":null,"abstract":"<div><div>Photodetectors based on heterostructures have garnered significant research interest due to their superior self-powering and responsiveness capabilities. In this work, the optoelectronic properties of a violet phosphorus (VP/MoS₂)/MoS₂ heterojunction are investigated through first-principles calculations. The results reveal that the VP/MoS₂ heterojunction possesses an indirect bandgap and a type-II band alignment. The interface potential drop (<em>E</em>_<em>p</em>) of the VP/MoS₂ heterojunction is 5.45 eV by studying the interfacial interaction, suggesting the formation of a large in-built electric field and an excellent self-powering capability. The absorption coefficient of VP/MoS₂ heterojunction are significantly higher in the UV and visible regions. Under biaxial strain, the VP/MoS₂ heterostructure can undergo transformations from a semiconductor to a metal, from an indirect to a direct bandgap, and from a type-II to a type-I energy band structure. Moreover, the light trapping ability in the near-infrared region is significantly enhanced. These findings underscore the broader potential application of VP/MoS₂ heterostructures in high-performance optoelectronic devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"394 ","pages":"Article 115675"},"PeriodicalIF":2.1,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142323060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A computational approach to study optoelectronic thermoelectric behavior of ternary zinc Aluminates ZnAl2X4 (X = S, Se, Te) for low-cost energy technologies","authors":"Ramesh Sharma ,&nbsp;Mumtaz Manzoor ,&nbsp;Sabah Ansar ,&nbsp;Yedluri Anil Kumar ,&nbsp;Vipul Srivastava","doi":"10.1016/j.ssc.2024.115674","DOIUrl":"10.1016/j.ssc.2024.115674","url":null,"abstract":"<div><p>The search for cost-effective, high-performing energy technologies has accelerated the study of new materials possessing exceptional thermoelectric qualities. This work uses a computational method to explore the thermoelectric and optoelectronic properties of ternary compounds with the goal of finding promising candidates for energy-related uses. We employ Boltzmann transport equations and density functional theory (DFT) to methodically examine the optical characteristics, electronic structure, and thermoelectric performance of ZnAl₂X₄ (X = S, Se, Te) compounds. The band profile reveals a semiconducting nature with direct band gap of 3.41, 3.31, 2.61 eV in ZnAl₂S₄, ZnAl₂Se_{4 and} ZnAl₂Te₄. Further, the plots of electron localization functions (ELF) provide a clear illustration of the significant hybridization of Zn-d, Al-p, and X-p states observed from the density of states. High values of optical absorbance and conductivities in UV regions confirm strong luminescent properties. The reflectance shows a red shift with increasing size and atomic no. of the chalcogenide atoms. Further, thermoelectric efficiency for these materials is estimated by calculating figure of merit values of 0.97, 0.77 and 0.716 at room temperature. Present study suggests these materials’ suitability for next-generation optical and thermoelectric devices.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"394 ","pages":"Article 115674"},"PeriodicalIF":2.1,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150820","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":"Investigation on room-temperature persistent photoconductivity in γ-InSe layered semiconductor","authors":"Chia-Ti Wu ,&nbsp;Yueh-Chien Lee ,&nbsp;Ruei-San Chen","doi":"10.1016/j.ssc.2024.115666","DOIUrl":"10.1016/j.ssc.2024.115666","url":null,"abstract":"<div><p>We have presented the room-temperature persistent photoconductivity (PPC) effect in γ-InSe layered semiconductors. The PPC effect can be observed in the temperature range from room temperature down to 200 K, and the PPC decay is well described by a stretch-exponential function. The temperature-dependent PPC and performance of PPC decay indicate that the random local-potential fluctuations (RLPF) mechanism is responsible for PPC effect inγ-InSe. In addition, the PPC behavior at different temperature regions can be well explained by the percolation model associated with the RLPF mechanism.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"393 ","pages":"Article 115666"},"PeriodicalIF":2.1,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142122790","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":"Dielectric relaxation and electrical conductivity in lead-free organic ferroelectric diisopropylammonium bromide (dipaBr)","authors":"Mamataj Khatun ,&nbsp;Ekramul Kabir","doi":"10.1016/j.ssc.2024.115670","DOIUrl":"10.1016/j.ssc.2024.115670","url":null,"abstract":"<div><p>In this communication, we explore the dielectric relaxation behavior of the novel organic salt Diisopropylammonium Bromide (dipaBr), focusing on the universal relaxation law. We conduct dielectric relaxation and conductivity analyses across a broad spectrum of temperatures (325K–443K) and frequencies (20 Hz–20 MHz). The irregularity in peak broadening observed in complex modulus spectroscopy indicates a distribution of relaxation periods with varying time constants, confirming that the relaxation is of the non-Debye type. To interpret the experimental findings, we utilize the Havriliak-Negami (HN) formula in our investigation of dielectric relaxation. The parameters derived from the model are discussed. The relaxation process in the material appears to depend on temperature. The ac conductivity profile follows Jonscher's universal power law, and the relationship between bulk DC conductivity and temperature follows an Arrhenius-like pattern.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"393 ","pages":"Article 115670"},"PeriodicalIF":2.1,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142096821","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":"Temperature and inhomogeneous background affect plasmons in four-layer graphene structures","authors":"Van Men Nguyen ,&nbsp;Kim Phuong Dong Thi","doi":"10.1016/j.ssc.2024.115672","DOIUrl":"10.1016/j.ssc.2024.115672","url":null,"abstract":"<div><p>We employ the random-phase approximation to investigate the effects of temperature and the inhomogeneity of background dielectric on the collective excitations and respective broadening functions in 4-MLG structures. Computations present that the systems have four plasmon modes, corresponding to one in-phase and three out-of-phase oscillations of charged particles. We obtain that plasmon frequency and respective broadening functions behave as increasing functions of temperature with sufficiently large wave vectors. Dissimilarly, in small wave vector regions, the increase in temperature slightly decreases plasmon energy, but further increases in temperature increase this parameter. In addition, as the separation increases, both plasmon frequency and broadening functions significantly reduce, and the inhomogeneity of the dielectric background strongly decreases plasmon energy and its loss. We observe that both temperature and the environment's inhomogeneity should be considered in calculations.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"393 ","pages":"Article 115672"},"PeriodicalIF":2.1,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142117508","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":"Realizations of Su-Schrieffer-Heeger (SSH) edge states in two-dimensional hydrocarbon systems","authors":"Yuxuan Song ,&nbsp;Xibin Liu ,&nbsp;Meng Zhou ,&nbsp;Lixiu Guan ,&nbsp;Xiaobiao Liu ,&nbsp;Linyang Li","doi":"10.1016/j.ssc.2024.115673","DOIUrl":"10.1016/j.ssc.2024.115673","url":null,"abstract":"<div><p>The Su-Schrieffer-Heeger (SSH) model of one-dimensional (1D) diatomic and four-atom chains, exhibit a topological phase transition characterized by the Zak phase. However, a challenge arises from the inherent difficulty of maintaining strong structural stability in real 1D nanostructures. Here, we show how to realize periodic 1D chains, reminiscent of the SSH model, in a two-dimensional (2D) system. These chains form a quasi-1D chain topological insulator (CTI) where the interchain coupling can be neglected. Based on first-principles calculations, we proposed that such CTIs can be realized in dumbbell (DB) C₄₀H₁₄ and DB C₄₀H₁₂ monolayers. The monolayers are CTIs, with a type of weak topological state, and the topological phase transition can be achieved by unit cell transformation or the application of 2D strain. Furthermore, increasing the number of DB C₁₀H₄ rings can enlarge the distance between the chains, corresponding to line defects within the monolayer, providing a possible strategy for experimental synthesis.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"393 ","pages":"Article 115673"},"PeriodicalIF":2.1,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142117509","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":"Bio-synthesized ZnO in cesium based perovskite solar cells: A pathway to sustainable high efficiency","authors":"Sagar Bhattarai ,&nbsp;Mustafa K.A. Mohammed ,&nbsp;Ismail Hossain ,&nbsp;Pratap Kumar Dakua ,&nbsp;Rahul Pandey ,&nbsp;Jaya Madan","doi":"10.1016/j.ssc.2024.115671","DOIUrl":"10.1016/j.ssc.2024.115671","url":null,"abstract":"<div><p>Photovoltaics (PV) having perovskite material have an enormous influence on the progress in solar cell technology. Excluding the high efficiency, stability, and flexibility, the extended impact has now been given on utilizing lead-free environmentally suitable, and much cheaper materials for the PSC fabrication. The material with a volatile free, that is, cesium tin iodide (CsSnI₃), is capable for the fabrication of the Perovskite Solar Cell that creates eco-friendly as well as enhanced optical-electronic features for the low bandgap, that is 1.27eV. Sn could increase the steadiness of the lead-free perovskite. However, as widely known, Sn²⁺ always suffers from oxidation with I₂ and O₂ and induces instability issues. In the ongoing work, cesium tin iodide, is employed as the primary absorber, in so much the root-extracted naturally manufactured ZnO is used as ETM for less cost in production. Correspondingly, Spiro-OMeTAD is used as HTM for enhancement in hole collection in the device. The inclusive numerical simulation with the bio-synthesized ZnO-NP can be applied in designing the solar cell having an applicable thickness of CsSnI₃, suitable temperature, total defect density, and the influence of the resistance, respectively. The current simulation of PSC offers the extraordinary power conversion efficiency (η) of 26.40 % considering CsSnI₃ as the absorber. The results described in this investigation may confirm an effective approach to design and the expansion of the lead-free PSC.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"393 ","pages":"Article 115671"},"PeriodicalIF":2.1,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142096820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, morphological, and magnetic properties of carbon-modified nanocrystalline Pr5Co19 alloys","authors":"F. Chafai ,&nbsp;W. Bouzidi ,&nbsp;R. Fersi ,&nbsp;L. Patout ,&nbsp;M. Descoins ,&nbsp;K. Hoummada ,&nbsp;L. Bessais ,&nbsp;A. Charaï ,&nbsp;N. Thabet Mliki","doi":"10.1016/j.ssc.2024.115668","DOIUrl":"10.1016/j.ssc.2024.115668","url":null,"abstract":"<div><p>Nanocrystalline rare-earth (R) and transition metal (T) alloys are known for their outstanding magnetic properties, which are driven by the combination of (R) and (T) magnetic moments. Adding carbon (C) has been proven to alter these magnetic properties. In the present work, we use X-ray diffraction, transmission electron microscopy, and atom probe tomography to investigate and characterize the impact of carbon addition on the crystalline structure, morphology, and chemical distribution of Pr₅Co₁₉ and its carbides Pr₅Co₁₉C_x. The nanocrystalline Pr₅Co₁₉ compound was synthesized by high-energy ball milling and the addition of carbon was performed by a solid-solid reaction between Pr₅Co₁₉ and C₁₀H₁₄. TEM study revealed that after carbonation the microstructure is refined, and the mean grain size decreases from 126 nm in Pr₅Co₁₉ to 65 nm with a carbon of content 1.5. Three-dimensional APT was performed to characterize the chemical composition of Pr-Co binary systems. The analyzed Pr₅Co₁₉C_1.5 sample reveals an irregular nano-lamella structure decorated by carbon atoms, the distance between the lamellas varying from 8 to 20 nm. An under-stoichiometry of Co was found in the C-rich lamellas. Fundamental magnetic properties such as saturation magnetization M_s, exchange field H_ex and magnetic susceptibility <span><math><mrow><mi>χ</mi></mrow></math></span> of the Pr₅Co₁₉ and its carbides were calculated using the random magnetic anisotropy (RMA) method.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"393 ","pages":"Article 115668"},"PeriodicalIF":2.1,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142122791","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":"Properties of bismuth based Bi2A3 (A = S, Se, Te) chalcogenides for optoelectronic and thermoelectric applications","authors":"Athar Javed ,&nbsp;Muhammad Haseeb ,&nbsp;Altaf Hussain ,&nbsp;Muhammad Amir Rafiq","doi":"10.1016/j.ssc.2024.115669","DOIUrl":"10.1016/j.ssc.2024.115669","url":null,"abstract":"<div><p>Structural, electronic, optical, mechanical, thermoelectric and dielectric properties of binary Bi₂A₃ (A = S, Se, Te) chalcogenide semiconductors are studied by first-principles approach. Bismuth sulfide (Bi₂S₃) is found to be structurally stable in orthorhombic structure while bismuth selenide (Bi₂Se₃) and bismuth telluride (Bi₂Te₃) are stable in trigonal structure. Calculated mechanical properties reveal that all three Bi₂A₃ (A = S, Se, Te) compounds fulfil the mechanical stability criteria. Band structure calculations reveal that the Bi₂S₃ exhibits direct optical band gap (<em>E</em>_<em>g</em> = 1. 58 eV) which lies in the near-infrared (NIR) region, while the calculated <em>E</em>_<em>g</em> of Bi₂Se₃ and Bi₂Te₃ are found to be 0.53 eV and 0.35 eV, respectively lying in the far-infrared region. For Bi₂S₃ and Bi₂Se₃ compounds, the calculated dielectric properties show strong anisotropic behavior, while negligible anisotropic dielectric behavior is observed for Bi₂Te₃. Calculated optical properties show that all three Bi₂A₃ compounds possess high absorption coefficient (&gt; 10⁴ cm⁻¹). For all three Bi₂A₃ (A = S, Se, Te) compounds, the calculated optical conductivity show prominent peak corresponding to the occurrence of optical conduction at energies 3.36 eV, 2.65 eV and 2.02 eV respectively. Calculated optical results support the results deduced from band structures and density of states spectra. Optical properties and dielectric behavior suggest that the Bi₂S₃ compound has suitable band gap and has potential to use for photovoltaic applications while Bi₂A₃ (A = Se, Te) compounds could be used in infrared detectors and other optical devices. Calculated thermal properties reveal that the Bi₂A₃ (A = S, Se, Te) chalcogenides could be potential materials for thermoelectric applications.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"393 ","pages":"Article 115669"},"PeriodicalIF":2.1,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142136960","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":"Effect of NH3 preadsorption on SO2 adsorption on Hf2CO2 MXene","authors":"Rui-Zhou Zhang,&nbsp;Xiao-Hong Li ,&nbsp;Hong-Ling Cui","doi":"10.1016/j.ssc.2024.115667","DOIUrl":"10.1016/j.ssc.2024.115667","url":null,"abstract":"<div><p>Preadsorbing suitable gas molecule on the substrate can effectively improve the adsorption strength of the system. The adsorption properties of preadsorping NH₃ on SO₂-adsorbed Hf₂CO₂ monolayer are explored by first-principles calculation. All possible adsorption sites are considered. SO₂ molecule cannot be adsorbed by Hf₂CO₂ monolayer, while preadsorbing NH₃ can increase the adsorption strength of SO₂-adsorbed Hf₂CO₂ monolayer. The adsorption system has the direct semiconductor character and is the reusable SO₂ gas sensor because of short recovery time and the appropriate adsorption strength. Preadsorbing NH₃ can decrease the carrier mobility in conduction band, but has little impact on the carrier mobility in valence band. The charge transfer of the co-adsorption system is also investigated.</p></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"392 ","pages":"Article 115667"},"PeriodicalIF":2.1,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142076641","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}