Fiza Mumtaz , Hassan Ali , G. Hassnain Jaffari , Jun-Yi Ge
{"title":"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","authors":"Fiza Mumtaz , Hassan Ali , G. Hassnain Jaffari , Jun-Yi Ge","doi":"10.1016/j.tsf.2025.140699","DOIUrl":null,"url":null,"abstract":"<div><div>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 <em>d</em>-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 <em>d</em><sup>3</sup>, <em>d</em><sup>4</sup>, <em>d</em><sup>5,</sup> and <em>d</em><sup>6</sup> configurations, for the extraction of Racah parameters, crystal field splitting energies, and nephelauxetic ratios. The vanishing of <em>d-d</em> 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-5<em>d</em>, Ba-5<em>p,</em> and Mn-3<em>d</em> states hybridization with O-2<em>p</em> 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.</div></div>","PeriodicalId":23182,"journal":{"name":"Thin Solid Films","volume":"823 ","pages":"Article 140699"},"PeriodicalIF":2.0000,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Quantitative analysis of various dn electronic configurations of transition metal ions using Tanabe Sugano diagrams in Bi1-xBaxFe1-yMnyO3 thin films\",\"authors\":\"Fiza Mumtaz , Hassan Ali , G. Hassnain Jaffari , Jun-Yi Ge\",\"doi\":\"10.1016/j.tsf.2025.140699\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>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 <em>d</em>-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 <em>d</em><sup>3</sup>, <em>d</em><sup>4</sup>, <em>d</em><sup>5,</sup> and <em>d</em><sup>6</sup> configurations, for the extraction of Racah parameters, crystal field splitting energies, and nephelauxetic ratios. The vanishing of <em>d-d</em> 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-5<em>d</em>, Ba-5<em>p,</em> and Mn-3<em>d</em> states hybridization with O-2<em>p</em> 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.</div></div>\",\"PeriodicalId\":23182,\"journal\":{\"name\":\"Thin Solid Films\",\"volume\":\"823 \",\"pages\":\"Article 140699\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2025-05-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Thin Solid Films\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0040609025000999\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"MATERIALS SCIENCE, COATINGS & FILMS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Thin Solid Films","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0040609025000999","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, COATINGS & FILMS","Score":null,"Total":0}
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.
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.