利用Tanabe Sugano图定量分析Bi1-xBaxFe1-yMnyO3薄膜中过渡金属离子的各种电子构型

IF 2 4区 材料科学 Q3 MATERIALS SCIENCE, COATINGS & FILMS
Fiza Mumtaz , Hassan Ali , G. Hassnain Jaffari , Jun-Yi Ge
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引用次数: 0

摘要

铋铁氧体(BFO)是一种众所周知的多铁性材料,具有广泛的应用前景。在本研究中,BFO的结构转变是通过掺杂剂的取代和共取代来追踪的。确定了取代对d-构型的影响,并构造了能级图。具体来说,它表现出与晶体结构密切相关的复杂电子结构。利用Tanabe-Sugano (TS)图框架内的光学数据分析了系统电子跃迁的变化。通过预测d3、d4、d5和d6构型的TS图,分析了实验紫外和可见电磁波谱,提取了Racah参数、晶体场分裂能和散射比。随着掺杂剂的取代,d-d跃迁的消失符合TS图。所有共取代组合物的Racah参数和浊积比随共取代的增加而增加。共取代BFO薄膜中Racah参数的增加与Ba-5d、Ba-5p和Mn-3d态与O-2p态的杂化有关。这种杂化控制了配体对金属离子的影响。这种配体与金属离子的相互作用也会影响电子间排斥力、Racah参数和散射比。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Quantitative analysis of various dn electronic configurations of transition metal ions using Tanabe Sugano diagrams in Bi1-xBaxFe1-yMnyO3 thin films
Bismuth ferrite (BFO) is a well-known multiferroic material that has many possible applications. In the present study, structural transformation in BFO is traced by the substitution and co-substitution of dopant. The influence of substitution on d-configuration is identified and an energy level diagram is constructed. Specifically, it exhibits a complex electronic structure that correlates well with the crystal structure. Modification in the electronic transitions of the system is analyzed using optical data within the framework of Tanabe-Sugano (TS) diagrams. The experimental ultraviolet and visible electromagnetic spectrum is analyzed with the aid of prediction of TS diagrams for d3, d4, d5, and d6 configurations, for the extraction of Racah parameters, crystal field splitting energies, and nephelauxetic ratios. The vanishing of d-d transitions with the substitution of dopants is according to the TS diagrams. The Racah parameter and nephelauxetic ratio for all the co-substituted compositions are observed to increase with co-substitution. An increase in Racah parameters in co-substituted BFO thin films is related to the Ba-5d, Ba-5p, and Mn-3d states hybridization with O-2p states. This hybridization controls the influence of the ligands on the metal ion. This ligands-metal ion interaction also affects the interelectronic repulsion, Racah parameter, and nephelauxetic ratio.
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来源期刊
Thin Solid Films
Thin Solid Films 工程技术-材料科学:膜
CiteScore
4.00
自引率
4.80%
发文量
381
审稿时长
7.5 months
期刊介绍: Thin Solid Films is an international journal which serves scientists and engineers working in the fields of thin-film synthesis, characterization, and applications. The field of thin films, which can be defined as the confluence of materials science, surface science, and applied physics, has become an identifiable unified discipline of scientific endeavor.
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