A minimalistic approach to broad band emission modeling, and automated configurational diagram construction†

IF 4.6 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
RSC Advances Pub Date : 2025-05-27 DOI:10.1039/D4RA07885C
Andrii Shyichuk and Eugeniusz Zych
{"title":"A minimalistic approach to broad band emission modeling, and automated configurational diagram construction†","authors":"Andrii Shyichuk and Eugeniusz Zych","doi":"10.1039/D4RA07885C","DOIUrl":null,"url":null,"abstract":"<p >In this paper, we propose a novel approach to broad emission band modeling. The ground state and the excited state of the emitter are represented as two continuous parabolic manifolds, where energy is proportional to the square of a certain geometrical coordinate (<em>E</em> = <em>kx</em><small><sup>2</sup></small>). The emitting level population is described by Boltzmann distribution, with absolute temperature as a parameter. Depending on the offset between the two parabolas and their curvatures (force constants) both symmetric and asymmetric Gaussian-like band shapes can be produced. Also proposed is a simple algebra that maps the input energy axis values of the experimental spectrum to the values of the geometrical (configurational) coordinate. The resulting band shape can be compared to the experimental one <em>via</em> least-squares fitting of the model parameters. Its usefulness in spectrum decomposition (deconvolution) is demonstrated using a few examples (doped inorganic phosphors; d–d, f–d and charge transfer transitions). Presence of absolute temperature in the definition of the model provides a potential for its use in primary luminescence thermometry.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 22","pages":" 17405-17419"},"PeriodicalIF":4.6000,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra07885c?page=search","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"RSC Advances","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2025/ra/d4ra07885c","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

Abstract

In this paper, we propose a novel approach to broad emission band modeling. The ground state and the excited state of the emitter are represented as two continuous parabolic manifolds, where energy is proportional to the square of a certain geometrical coordinate (E = kx2). The emitting level population is described by Boltzmann distribution, with absolute temperature as a parameter. Depending on the offset between the two parabolas and their curvatures (force constants) both symmetric and asymmetric Gaussian-like band shapes can be produced. Also proposed is a simple algebra that maps the input energy axis values of the experimental spectrum to the values of the geometrical (configurational) coordinate. The resulting band shape can be compared to the experimental one via least-squares fitting of the model parameters. Its usefulness in spectrum decomposition (deconvolution) is demonstrated using a few examples (doped inorganic phosphors; d–d, f–d and charge transfer transitions). Presence of absolute temperature in the definition of the model provides a potential for its use in primary luminescence thermometry.

Abstract Image

一个极简的方法来宽带发射建模,和自动配置图建设†
在本文中,我们提出了一种新的宽发射带建模方法。发射极的基态和激发态表示为两个连续的抛物流形,其中能量与某一几何坐标的平方成正比(E = kx2)。以绝对温度为参数,用玻尔兹曼分布描述发射能级居群。根据两个抛物线及其曲率(力常数)之间的偏移量,可以产生对称和非对称的类高斯带形状。还提出了一个简单的代数,将实验光谱的输入能量轴值映射到几何(构型)坐标的值。通过对模型参数进行最小二乘拟合,得到的带形可以与实验带形进行比较。用几个例子证明了它在光谱分解(反卷积)中的有用性(掺杂无机荧光粉;D-d, f-d和电荷转移跃迁)。模型定义中存在的绝对温度为其在初级发光测温中使用提供了潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
RSC Advances
RSC Advances chemical sciences-
CiteScore
7.50
自引率
2.60%
发文量
3116
审稿时长
1.6 months
期刊介绍: An international, peer-reviewed journal covering all of the chemical sciences, including multidisciplinary and emerging areas. RSC Advances is a gold open access journal allowing researchers free access to research articles, and offering an affordable open access publishing option for authors around the world.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信