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Unraveling The Origin of Enhanced Field Emission from Irradiated FeCo-SiO2 Nanocomposites: A Combined Experimental and First-Principles Based Study

机译:阐明辐照的FeCo-SiO2纳米复合材料增强场发射的起源:基于实验和第一性原理的组合研究

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This work is driven by the vision of engineering planar field emitters with ferromagnetic metal insulator nanocomposite thin films, using swift heavy ion (SHI) irradiation method. FeCo nanoparticles inside SiO2 matrix, when subjected to SHI get elongated. Using this, we demonstrate here a planar field emitter with maximum current density of 550 mu A/cm(2) at an applied field of 15 V/ mu m. The film, irradiated with 5 X 10(13) ions/cm(2) fluence (5e13) of 120 MeV Au9+ ions, shows very high electron emitting quantum efficiency in comparison to its unirradiated counterpart. Surface enhanced Raman spectroscopy analysis of unirradiated and 5e13 films further confirms that the field emission (FE) enhancement is not only due to surface protrusions but also depends on the properties of entire matrix. We find experimental evidence of enhanced valence band density of states (VB DOS) for 5e13 film from XPS, which is verified in the electronic structure of a model FeCo cluster from first-principles based calculations combining density functional theory (DFT) and molecular dynamics (MD) simulations. The MD temperature is selected from the lattice temperature profile inside nanoparticles as deduced from thermal spike model. Increasing the irradiation fluence beyond 5e13, results in reduced VB DOS and melting of surface protrusions, thus causing reduction of FE current density. We finally conclude from theoretical analysis that change in fluence alters the coordination chemistry followed by the charge distribution and spin alignment, which influence the VB DOS and concurrent FE as evident from our experiment.
机译:这项工作是通过使用快速重离子(SHI)辐照方法设计具有铁磁金属绝缘体纳米复合薄膜的平面场发射器的愿景而实现的。经受SHI时,SiO2基质内部的FeCo纳米颗粒会变长。使用这个,我们在这里展示了一个平面场发射器,在15 V /μm的施加电场下,最大电流密度为550μA/ cm(2)。该膜用120 MeV Au9 +离子的5 X 10(13)离子/ cm(2)能量密度(5e13)辐照,与未辐照的对应物相比,显示出很高的电子发射量子效率。未辐照和5e13膜的表面增强拉曼光谱分析进一步证实,场发射(FE)增强不仅归因于表面突起,而且还取决于整个基质的特性。我们发现XPS的5e13薄膜具有增强的价带态态密度(VB DOS)的实验证据,这是通过结合密度泛函理论(DFT)和分子动力学的基于第一性原理的计算得出的FeCo团簇模型的电子结构中得到验证的( MD)模拟。 MD温度是根据热尖峰模型推导的,从纳米粒子内部的晶格温度曲线中选择的。将辐照通量增加到5e13以上,会导致VB DOS降低和表面突起熔化,从而导致FE电流密度降低。从理论分析中我们最终得出结论,注量的变化会改变配位化学,进而改变电荷分布和自旋排列,这会影响VB DOS和同时发生的FE,这从我们的实验中可以明显看出。

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