Journal of Computational Electronics最新文献_第5页

Enhancing the analysis of external quantum efficiency in OLEDs utilizing thin transport layer materials 利用薄传输层材料加强对有机发光二极管外部量子效率的分析

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-07-11 DOI: 10.1007/s10825-024-02197-y

P. Santhoshini, K. HelenPrabha

引用次数: 0

Compact model for MFIS-NCFETs considering deep-level interface trap states 考虑深层界面阱态的 MFIS-NCFET 紧凑型模型

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-07-09 DOI: 10.1007/s10825-024-02194-1

Xin Liu, Shaoman Peng, Heung Nung Lau, Xincheng Huang, Wanling Deng

{"title":"Compact model for MFIS-NCFETs considering deep-level interface trap states","authors":"Xin Liu, Shaoman Peng, Heung Nung Lau, Xincheng Huang, Wanling Deng","doi":"10.1007/s10825-024-02194-1","DOIUrl":"10.1007/s10825-024-02194-1","url":null,"abstract":"<div>A direct current (DC) compact model for negative capacitance field-effect transistors (NCFETs) based on a metal-ferroelectric-insulator-semiconductor (MFIS) structure is proposed, considering the influence of deep-level interface trap states. To overcome the bottleneck problem of accurately and efficiently solving models, an explicit algorithm is developed, which is used to solve the complex Landau–Devonshire (LD) formula for the second-order phase transitions in physical models and the transcendental equation of trap density of states and surface potential. Compared with existing algorithms based on analytical surface potential, the new method does not require the numerical methods involving several iterations to obtain more accurate results, and the model can accurately reflect the opposite control effect of interface traps on surface potential and current under different ferroelectric (FE) thicknesses. The high precision of the model was verified through comprehensive numerical calculations and experimental data, indicating that the model can be effectively applied to circuit simulation design under low-power condition.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"945 - 956"},"PeriodicalIF":2.2,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141573302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The structural, electronic, optical, elastic, and vibrational properties of GeS2 using HSE03: a first-principle investigation 利用 HSE03 研究 GeS2 的结构、电子、光学、弹性和振动特性：第一原理研究

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-07-06 DOI: 10.1007/s10825-024-02196-z

Geoffrey Tse

{"title":"The structural, electronic, optical, elastic, and vibrational properties of GeS2 using HSE03: a first-principle investigation","authors":"Geoffrey Tse","doi":"10.1007/s10825-024-02196-z","DOIUrl":"10.1007/s10825-024-02196-z","url":null,"abstract":"<div>Density functional theory (DFT) has sparked intense interest in computational material predictions, especially in electronic band structure, optical dielectric functions, elastic moduli, and phonon calculations using non-local hybrid functionals. Using the first-principle-based calculations, a wide direct Γ-Γ bandgap Eg of 2.68 eV has been reported. Our partial density of states (PDOS) data also demonstrate that the substance exhibits metallic properties, based on the nonzero density of states at Fermi-level EF. Still, what is more, our computational data show the orbital hybridization between Ge 4s2 and S 3p4 electron states on the valence level, and a strong repulsive force occurs on both Ge and S p electron orbitals. The optical absorption coefficient calculated can reach up to 3 × 105 cm−1, indicating good material absorption. Our elastic information provided predicts substance ductility and ionic-covalency of the group IV-VI material. We have also added Vickers hardness and machinability index to our publication, for the sake of completeness. Finally, the slight system instability and weak coupling of the GeS2 material have been observed, according to our phonon dispersion and density of phonon states plot.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"968 - 976"},"PeriodicalIF":2.2,"publicationDate":"2024-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141573303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

WCl3 monolayer: a first principles prediction of electronic and magnetic properties under an external electric field WCl3 单层：外加电场下电子和磁性能的第一原理预测

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-07-06 DOI: 10.1007/s10825-024-02195-0

Md. Azaharuddin Ahmed, A. L. Safi

{"title":"WCl3 monolayer: a first principles prediction of electronic and magnetic properties under an external electric field","authors":"Md. Azaharuddin Ahmed, A. L. Safi","doi":"10.1007/s10825-024-02195-0","DOIUrl":"10.1007/s10825-024-02195-0","url":null,"abstract":"<div>This current study focuses on predicting the electronic and magnetic behaviors of WCl3 monolayer when subjected to an external electric field. Unlike CrI3, the WCl3 monolayer displays a preference for an antiferromagnetic (AFM) ground state with an in-plane easy axis. This AFM state remains consistent across the entire spectrum (0–1 V/Å) of the external electric field. The indirect electronic band gap of the WCl3 monolayer is predicted to be about 2.16 eV. Through our analysis, we’ve identified that the dominance of the valence band maximum and the conduction band minimum stems mainly from the ({d}_{{x}^{2}-{y}^{2}}) orbital (52% contribution) and the ({d}_{{z}^{2}}) orbital (97% contribution) respectively, attributed to the W element. The majority of electronic transitions related to the band gap arise due to these specific orbitals. Furthermore, the application of an external electric field can adjust the band gap to zero, prompting a transition from semiconductor to metal at an electric field intensity of E = 0.9 V/Å. Using mean field theory, we estimate the Neel temperature (TN) of the AFM system to be approximately 356 K, a notably high value surpassing room temperature. Moreover, the application of an electric field demonstrates the potential to further elevate the Neel temperature, crucial for the functionality of high-temperature spintronic devices. Our comprehensive examination also delves into the magnetic anisotropy of the WCl3 monolayer. The analysis of magnetic anisotropy energy (MAE) indicates that, contrary to the CrI3 monolayer, the transition metal W significantly contributes to the system’s MAE, which is predicted to be − (3.44text{ meV}/text{W}). The magnetic easy axis aligns along the (x) direction (in-plane).</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"957 - 967"},"PeriodicalIF":2.2,"publicationDate":"2024-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141573233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Plasma-assisted carbon nanotube for solar cell application 等离子体辅助碳纳米管在太阳能电池中的应用

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-07-01 DOI: 10.1007/s10825-024-02188-z

Suraj Kumar Singh, Ishu Sharma, Suresh C. Sharma

引用次数: 0

Correction: Electrothermal properties of 2D materials in device applications 更正：器件应用中二维材料的电热特性

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-06-27 DOI: 10.1007/s10825-024-02193-2

Samantha Klein, Zlatan Aksamija

引用次数: 0

A computational investigation on the adsorption behavior of bromoacetone on B36 borophene nanosheets B36 硼吩納米薄片上溴丙酮吸附行為的計算研究

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-06-26 DOI: 10.1007/s10825-024-02192-3

Meriem Taier, Hamza Allal, Salim Bousba, Fathi Bouhadiouche, Soumeya Maza, Maamar Damous, Ahlem Boussadia

{"title":"A computational investigation on the adsorption behavior of bromoacetone on B36 borophene nanosheets","authors":"Meriem Taier, Hamza Allal, Salim Bousba, Fathi Bouhadiouche, Soumeya Maza, Maamar Damous, Ahlem Boussadia","doi":"10.1007/s10825-024-02192-3","DOIUrl":"10.1007/s10825-024-02192-3","url":null,"abstract":"<div>Density functional theory (DFT) methods are employed to investigate the capability of B36 borophene nanosheets as sensors for detecting the bromoacetone (BCT) molecule. An evaluation of the structural and electronic properties of both BCT and B36 borophene is conducted. Subsequently, through computed metrics such as adsorption energy, charge density difference, and density of states, the interaction between B36 and the BCT molecule is examined via dispersion-corrected density functional theory (DFT). Employing the reduced density gradient approach for the analysis of non-covalent interactions, we further explored the nature of these interactions. The obtained results illustrate that B36 borophene nanosheets serve as effective sensors for the BCT molecule, showcasing their ability to adsorb up to five BCT molecules through an exothermic process. BCT molecules chemiadsorb onto B36 borophene by forming B‒O covalent bonds, engaging the oxygen atom of the carbonyl group in BCT with the edge boron atoms of B36 borophene. Additionally, BCT molecules physio-adsorb on both the concave and convex sides of B36 borophene, facilitated by van der Waals interactions. Ab-initio molecular dynamic simulations confirm the thermal stability of the BCT@B36 concave and convex complexes at both 300 K and 400 K.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 5","pages":"931 - 944"},"PeriodicalIF":2.2,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141500590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The energy-loss tensor in the bilayer and monolayer graphene: the role of many-body effects 双层和单层石墨烯的能量损失张量：多体效应的作用

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-06-26 DOI: 10.1007/s10825-024-02182-5

E. Rostampour

引用次数: 0

Donor-induced electrically charged defect levels: examining the role of indium and n-type defect-complexes in germanium 供体诱导的带电缺陷水平：研究锗中铟和 n 型缺陷复合物的作用

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-06-18 DOI: 10.1007/s10825-024-02179-0

Emmanuel Igumbor

{"title":"Donor-induced electrically charged defect levels: examining the role of indium and n-type defect-complexes in germanium","authors":"Emmanuel Igumbor","doi":"10.1007/s10825-024-02179-0","DOIUrl":"10.1007/s10825-024-02179-0","url":null,"abstract":"<div>Defect levels induced by defect-complexes in Ge play important roles in device fabrication, characterization, and processing. However, only a few defect levels induced by defect-complexes have been studied, hence limiting the knowledge of how to control the activities of numerous unknown defect-complexes in Ge. In this study, hybrid density functional theory calculations of defect-complexes involving oversize atom (indium) and n-type impurity atoms in Ge were performed. The formation energies, defect-complex stability, and electrical characteristics of induced defect levels in Ge were predicted. Under equilibrium conditions, the formation energy of the defect-complexes was predicted to be within the range of 5.90–11.38 eV. The defect-complexes formed by P and In atoms are the most stable defects with binding energy in the range of 3.31-3.33 eV. Defect levels acting as donors were induced in the band gap of the host Ge. Additionally, while shallow defect levels close to the conduction band were strongly induced by the interactions of Sb, P, and As interstitials with dopant (In), the double donors resulting from the interactions between P, As, N, and the host atoms including In atom are deep, leading to recombination centers. The results of this study could be applicable in device characterization, where the interaction of In atom and n-type impurities in Ge is essential. This report is important as it provides a theoretical understanding of the formation and control of donor-related defect-complexes in Ge.</div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"23 4","pages":"697 - 706"},"PeriodicalIF":2.2,"publicationDate":"2024-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10825-024-02179-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141500588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tuning sensitivity of bimetallic, MXene and graphene-based SPR biosensors for rapid malaria detection: a numerical approach 调谐双金属、MXene 和石墨烯基 SPR 生物传感器的灵敏度以快速检测疟疾：一种数值方法

IF 2.2 4区工程技术

Journal of Computational Electronics Pub Date : 2024-06-17 DOI: 10.1007/s10825-024-02191-4

Bhishma Karki, Arun Uniyal, Manoj Sharma, Ram Bharos Yadav, Parusharamulu Buduma

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