Solid State Communications最新文献_第8页

Remanent magnetic configurations in cylindrical nanodots 圆柱形纳米点的剩余磁性结构

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-10 DOI: 10.1016/j.ssc.2025.116016

R. Moreno , P.G. Bercoff

{"title":"Remanent magnetic configurations in cylindrical nanodots","authors":"R. Moreno , P.G. Bercoff","doi":"10.1016/j.ssc.2025.116016","DOIUrl":"10.1016/j.ssc.2025.116016","url":null,"abstract":"<div><div>Determining whether the magnetization of cylindrical nanodots is in a single domain configuration (SD) or a vortex state <span><math><msub><mrow><mi>V</mi></mrow><mrow><mi>X</mi></mrow></msub></math></span> is crucial in a wide range of interdisciplinary applications. In this work we investigate the SD and <span><math><msub><mrow><mi>V</mi></mrow><mrow><mi>X</mi></mrow></msub></math></span> existence, and their coexistence, in terms of the nanodot diameter (<span><math><mi>D</mi></math></span>) and its saturation magnetization (<span><math><msub><mrow><mi>M</mi></mrow><mrow><mi>S</mi></mrow></msub></math></span>) for different thicknesses, by means of micromagnetic simulations. We determine the stable magnetic configurations at remanence, from both in plane and out of plane hysteresis loops. Additionally, we investigate the vortex core radius <span><math><msub><mrow><mi>R</mi></mrow><mrow><mi>V</mi></mrow></msub></math></span> in terms of different parameters considered. We find that <span><math><msub><mrow><mi>R</mi></mrow><mrow><mi>V</mi></mrow></msub></math></span> is strongly dependent on the thickness and the saturation magnetization but the dependence is weaker on the diameter, vanishing for the larger ones. For the range of parameters studied in this work, we find that <span><math><msub><mrow><mi>R</mi></mrow><mrow><mi>V</mi></mrow></msub></math></span> is diameter independent for <span><math><mrow><mi>D</mi><mo>≳</mo></mrow></math></span> 100 nm.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116016"},"PeriodicalIF":2.1,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144270811","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}

引用次数: 0

Recent developments in non–magnetic elements co–doped semiconducting oxides 非磁性元素共掺杂半导体氧化物的最新进展

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-09 DOI: 10.1016/j.ssc.2025.116040

K.K. Singha , L. Chouhan , S.K. Srivastava

{"title":"Recent developments in non–magnetic elements co–doped semiconducting oxides","authors":"K.K. Singha , L. Chouhan , S.K. Srivastava","doi":"10.1016/j.ssc.2025.116040","DOIUrl":"10.1016/j.ssc.2025.116040","url":null,"abstract":"<div><div>Devices in the fields of optoelectronics and spintronics need to pay close attention to a new subfield of non–magnetic doped semiconducting oxide materials. Due to the wide range of applications and contributions that optoelectronic devices have made to a variety of industries, they have become indispensable in different aspects of society. These devices are extremely important in a variety of fields, including medical imaging, electronic communications, data transport, and renewable energy, among others. On the other hand, spintronic devices, are dependent on the electronics field that utilizes the spin property of electrons plus their fundamental electronic charge for the purpose of data recording and transporting. Research has been going on in a number of different directions, one of which is the investigation of ferromagnetic oxide semiconductors for spintronic applications, particularly those with high Curie temperatures. Within the scope of this article, an overview is provided on the development of non–magnetic elements co–doped semiconducting oxide materials. These materials include here are SnO<sub>2</sub>, TiO<sub>2</sub>, and ZnO. The experimental findings from the ongoing study on these materials are explored, with an attention on investigating their structural, optical, transport, and magnetic properties.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116040"},"PeriodicalIF":2.1,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144254763","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}

引用次数: 0

First-principles study on the electronic structure and photocatalytic properties of transition metal(Fe,Co,Ni) and N co-doped graphene-like ZnO monolayer 过渡金属（Fe,Co,Ni）和N共掺杂类石墨烯ZnO单层的电子结构和光催化性能第一性原理研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-09 DOI: 10.1016/j.ssc.2025.116037

Yi Liu , Shuai Feng , Jiangang Yu

{"title":"First-principles study on the electronic structure and photocatalytic properties of transition metal(Fe,Co,Ni) and N co-doped graphene-like ZnO monolayer","authors":"Yi Liu , Shuai Feng , Jiangang Yu","doi":"10.1016/j.ssc.2025.116037","DOIUrl":"10.1016/j.ssc.2025.116037","url":null,"abstract":"<div><div>We have systematically investigated the electronic structure, magnetic properties, and photocatalytic properties of transition metal(TM = Fe, Co, Ni) and N codoped ZnO monolayer using density functional theory(DFT). All co-doping ZnO monolayer systems exhibit ferromagnetism. The magnetic moment of the co-doping systems mainly comes from the d orbital of the TM elements and the d-p orbital hybridization between the TM elements and the surrounding non-metal atom. The work functions have been further reduced by TM(Fe, Co, Ni) doping. The band edge positions <em>E</em><sub>CBM</sub> and <em>E</em><sub>VBM</sub> are all higher and lower than the oxidation-reduction potential of water at both pH = 0 and pH = 7, respectively. The absorption spectra have a red shift by TM(Fe, Co, Ni) mono- and co-doped. The <em>E</em><sub>CBM</sub> and <em>E</em><sub>VBM</sub> of Co mono-doped and Co/N codoped systems are closer to the standard redox potentials, which is expected to further improve the catalytic efficiency of the material for water splitting. The results demonstrate that the doped ZnO monolayer system is a promising spin electron device and photocatalytic catalyst for water splitting.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116037"},"PeriodicalIF":2.1,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144254774","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}

引用次数: 0

Predicting the glass transition temperature of norfullerene acceptor dyes by ensemble machine learning approach from their data driven approaches 用集合机器学习方法预测去氟烯受体染料的玻璃化转变温度

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-04 DOI: 10.1016/j.ssc.2025.116022

Hussein A.K. Kyhoiesh , Karrar H. Salem , Riyam A. Hasan , Sammir H. Mohammed , Ahmed A. Al-Kubaisi , Ashraf Y. Elnaggar , Islam H. El Azab , Mohamed H.H. Mahmoud

{"title":"Predicting the glass transition temperature of norfullerene acceptor dyes by ensemble machine learning approach from their data driven approaches","authors":"Hussein A.K. Kyhoiesh , Karrar H. Salem , Riyam A. Hasan , Sammir H. Mohammed , Ahmed A. Al-Kubaisi , Ashraf Y. Elnaggar , Islam H. El Azab , Mohamed H.H. Mahmoud","doi":"10.1016/j.ssc.2025.116022","DOIUrl":"10.1016/j.ssc.2025.116022","url":null,"abstract":"<div><div>Accurate prediction of the glass transition temperature (Tg) of norfullerene acceptor dyes (NFAs) is crucial for their application in organic photovoltaic devices, as it significantly affects their stability and performance. In this study, we employed an ensemble machine learning approach to predict the Tg of (NFAs) using data-driven descriptors. Specifically, random forest models with varying tree numbers (100, 200, 300, …, 1000) were built, and the best results were obtained with models containing 400, 600, 500, and 700 trees. The most influential descriptors contributing to the model's performance were identified as HeavyAtomCount, Chi1, Chi0, LabuteASA, HeavyAtomMolWt, MolWt, ExactMolWt, NumValenceElectrons, MolMR, and Chi0n. Additionally, we evaluated the synthetic accessibility (SA) of the NFAs, which ranged from 0.0 to 0.20. The ability to predict T<sub>g</sub> accurately is vital for NFAs, as it allows for the identification of compounds with optimal thermal stability, ultimately leading to the development of more efficient organic photovoltaic devices<strong>.</strong></div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116022"},"PeriodicalIF":2.1,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144239376","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}

引用次数: 0

Tuning electrical and optical anisotropy of bilayer black phosphorus quantum dots by the twist angle 利用扭转角调节双层黑磷量子点的电学和光学各向异性

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-04 DOI: 10.1016/j.ssc.2025.116004

Xinyue Zhao , Jiayi Chen , Yingfang Lu , Zhen Wang , Zhenhua Wu , Xiaojing Li

引用次数: 0

First-principles calculations to investigate structural, magneto-electronic, elastic, thermodynamic, and thermoelectric properties of Co2LuY (Y = Zr, Hf) alloys for potential industrial application 研究Co2LuY （Y = Zr, Hf）合金的结构、磁电子、弹性、热力学和热电性能的第一性原理计算，用于潜在的工业应用

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-03 DOI: 10.1016/j.ssc.2025.116028

A. El Galta, R. Masrour

{"title":"First-principles calculations to investigate structural, magneto-electronic, elastic, thermodynamic, and thermoelectric properties of Co2LuY (Y = Zr, Hf) alloys for potential industrial application","authors":"A. El Galta, R. Masrour","doi":"10.1016/j.ssc.2025.116028","DOIUrl":"10.1016/j.ssc.2025.116028","url":null,"abstract":"<div><div>This study investigates the structural, electronic, magnetic, elastic, thermodynamic, and thermoelectric properties of Co<sub>2</sub>LuZr and Co<sub>2</sub>LuHf alloys using first-principles calculations employing a generalized gradient (GGA), GGA + U and modified Becke-Johnson (mBJ) framework. The results reveal that both compounds are stable in their ferromagnetic phase, with electronic and magnetic characteristics typical of ferromagnetic metals. The estimated magnetic moment values for Co<sub>2</sub>LuZr and Co<sub>2</sub>LuHf are 1.36 μ<sub>B</sub> and 1.30 μ<sub>B</sub>, respectively, aligning with theoretical predictions based on the Slater-Pauling rule. The elastic constants (C<sub>11</sub>, C<sub>12</sub>, and C<sub>44</sub>) satisfy the Born-Huang mechanical stability criteria. Derived elasticity parameters indicate that both materials are mechanically stable, exhibit appreciable ductility, and display low elastic anisotropy. Thermodynamic calculations show that the constant-volume heat capacities, vibrational Debye temperatures, and coefficients of thermal expansion of the alloys increase remarkably with increasing temperature. Thermoelectric calculations indicate that Co<sub>2</sub>LuZr exhibits a higher figure of merit (Z<sub>T</sub>) than Co<sub>2</sub>LuHf across the studied temperature range.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"404 ","pages":"Article 116028"},"PeriodicalIF":2.1,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144262720","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}

引用次数: 0

Advance in antimony triselenide solar cell power conversion by dye sensitized solar cell integration 染料敏化太阳能电池集成转化三硒化锑太阳能电池的研究进展

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-03 DOI: 10.1016/j.ssc.2025.116025

Vikramachari Mudumala, Muni Mounika Parnapalli, Neeraja Adike, Raghavender Mitty

引用次数: 0

Strange electric resistivity and heat capacity of Fe(Mn,Si) compared to Fermi metals and non-metallic solids 与费米金属和非金属固体相比，Fe（Mn,Si）具有奇异的电阻率和热容量

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-06-02 DOI: 10.1016/j.ssc.2025.115996

Andrew Das Arulsamy , Ragavendran Venkatesan , Jeyanthinath Mayandi

{"title":"Strange electric resistivity and heat capacity of Fe(Mn,Si) compared to Fermi metals and non-metallic solids","authors":"Andrew Das Arulsamy , Ragavendran Venkatesan , Jeyanthinath Mayandi","doi":"10.1016/j.ssc.2025.115996","DOIUrl":"10.1016/j.ssc.2025.115996","url":null,"abstract":"<div><div>We derive the relevant physical mechanisms to capture the electric and thermoelectric properties of pure and doped FeSi supported by numerous experiments. We first evaluate the temperature- and/or pressure-dependent resistivity data of gold, silver, copper, titanium, lithium, graphene, iron, Fe<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>C<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>, FeSi and Fe<span><math><msub><mrow></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>Mn<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>Si to derive their unequivocal electronic transport phenomena. In doing so, we discovered that the physics of increasing scattering rate for gold is not caused by Kondo effect. We also prove that the diverse electric properties of FeSi are due to Fermi metallic, strange non-metallic and strange metallic phases, where the strange phase obeys Arulsamy fermions. The Fermi metallic phase of FeSi is not related to topological phase, which has been confirmed after exploiting the constant-pressure specific heat capacity data of FeSi and the conductivity data of Mn doped FeSi. Finally, we highlight the temperature—ionization energy phase diagram for FeSi and the possibility to improve the ZT value for the potassium-doped FeSi.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115996"},"PeriodicalIF":2.1,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195212","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}

引用次数: 0

Density functional theory study of the compositional dependence of finite strain in SnxGe1x alloys on Ge(100) SnxGe1x合金有限应变成分对Ge（100）依赖性的密度泛函理论研究

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-29 DOI: 10.1016/j.ssc.2025.116021

N. Masoumi, A.V.G. Chizmeshya

引用次数: 0

Temperature–dependent phase behavior and thermal stability of bismuth-doped tungsten trioxide nanowires 掺铋三氧化钨纳米线的温度依赖性相行为和热稳定性

IF 2.1 4区物理与天体物理

Solid State Communications Pub Date : 2025-05-29 DOI: 10.1016/j.ssc.2025.116010

Antonio Werbeson Miranda , Caique Diego de Abreu Lima , João Victor Barbosa Moura , Alan Silva de Menezes , Clenilton Costa dos Santos , Emerson da Silva do Nascimento , Moisés das Virgens Santana , José Ferreira da Silva Júnior , Paulo de Tarso Cavalcante Freire , Gardênia de Sousa Pinheiro , Cleânio da Luz Lima

{"title":"Temperature–dependent phase behavior and thermal stability of bismuth-doped tungsten trioxide nanowires","authors":"Antonio Werbeson Miranda , Caique Diego de Abreu Lima , João Victor Barbosa Moura , Alan Silva de Menezes , Clenilton Costa dos Santos , Emerson da Silva do Nascimento , Moisés das Virgens Santana , José Ferreira da Silva Júnior , Paulo de Tarso Cavalcante Freire , Gardênia de Sousa Pinheiro , Cleânio da Luz Lima","doi":"10.1016/j.ssc.2025.116010","DOIUrl":"10.1016/j.ssc.2025.116010","url":null,"abstract":"<div><div>This work studies the temperature–dependent behavior of nano-sized pure WO<sub>3</sub> and bismuth-doped with varying molar concentrations of bismuth (0 %, 1 %, and 2 %) synthesized using the hydrothermal method. Scanning Electron Microscopy revealed spindle-like agglomerates on the surface of the samples. X–ray diffraction analysis confirms the synthesized samples' hexagonal phase (h–WO<sub>3</sub>). Raman and Fourier–transform infrared spectroscopy analyses corroborated the X–ray diffraction results and showed variations in peak positions as the dopant concentration increased. Diffuse reflectance spectroscopy analysis demonstrated that the sample WO<sub>3</sub> doped with 1 %Bi exhibited the lowest energy gap value among all the samples. The results Temperature–dependent Raman and X–ray diffraction showed an irreversible phase transition at 713–803 K for pure h–WO<sub>3</sub>. However, this transition did not occur for samples doped with 1 % and 2 % bismuth, Thus, indicating improved thermal stability when Bi ions are introduced into the WO<sub>3</sub> structure. Therefore, shows that these materials can be used application under extreme temperatures.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 116010"},"PeriodicalIF":2.1,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144204598","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}

引用次数: 0