摘要
在本教程综述中,我们重新阐述和表达了镧系离子间无辐射能量传递(ET)速率的理论形式,并且强调了考虑镧系离子本身特异性所引发的与Förster和Dexter理论不同之处。所给出的表达式遵循了Judd-Ofelt的4f-4f跃迁理论框架之下的Kushida方法,并计入了如下电多极机制:偶极-偶极(W_(d-d))、偶极-四极(W_(d-q))和四极-四极(W_(q-q))。更为重要的是,当前的机制也扩展包括了交换(W_(ex))和磁偶极子-磁偶极子(W_(md-md))作用,并经过改进进一步包含了屏蔽效应以及给出了F因子(费米黄金规则中的态密度)的解析表达式。与Kushida的原始方法类似,我们只考虑了强制电偶极子(FED)对Judd-Ofelt强度参数的贡献,并细节性地讨论了磁偶极-磁偶极相互作用的选择定则以及相关矩阵元的计算。此外,我们还以Tb(Ⅲ)-Eu(Ⅲ)和Yb(Ⅲ)-Er(Ⅲ)的能量传递速率计算为例,逐步展示了计算过程、主要的计算支撑信息以及所使用的计算脚本。
In this tutorial review,we present nonradiative energy transfer(ET)rates between lanthanides in a rearranged form.We emphasize the nature of the contributions which are different from those developed by Förster and Dexter theories because of the unique properties of the lanthanide ions.The expressions discussed here were based on Kushidas approach(electric multipolar mechanisms:dipole-dipole(W_(d-d)),dipole-quadrupole(W_(d-q)),and quadrupole-quadrupole(W_(q-q)))within the Judd-Ofelt framework for 4f-4f transitions.Notice that these mechanisms were extended to include the exchange(W_(ex))and magnetic dipole-magnetic dipole mechanisms(W_(md-md)),and were improved to include shielding effects as well as an analytical expression for the F-factor(density of states in Fermi’s golden rule).Similar to the original approach of Kushida,only the Forced Electric Dipole(FED)contributions to the Judd-Ofelt intensity parameters should be considered.A detailed discussion of selection rules and matrix elements calculations for the magnetic dipole-magnetic dipole interaction is presented.In addition,step-by-step examples of Tb(Ⅲ)-Eu(Ⅲ)and Yb(Ⅲ)-Er(Ⅲ)energy transfer rates calculations are provided,with extensive Supporting Information,including scripts for calculations.
作者
Albano N Carneiro Neto
Renaldo T Moura Jr
Jorge A A Coelho
Mauro E Silva-Junior
Janderson L Costa
Oscar L Malta
Ricardo L Longo
Albano N Carneiro Neto;Renaldo T Moura Jr;Jorge A A Coelho;Mauro E Silva-Junior;Janderson L Costa;Oscar L Malta;Ricardo L Longo(Physics Department and CICECO-Aveiro Institute of Materials,University of Aveiro,Aveiro,Portugal,3810-193;Department of Chemistry,Southern Methodist University,Dallas,United States,75275-0314;Department of Chemistry and Physics,Federal University of Paraíba,Areia,Brazil,58397-000(permanent address);Departamento de Química Fundamental,Universidade Federal de Pernambuco,Recife,Brazil,50740-560;Programa de Pós-Graduação em Ciência de Materiais,Universidade Federal de Pernambuco,Recife,Brazil,50670-901)
出处
《发光学报》
EI
CAS
CSCD
北大核心
2022年第12期1871-1891,共21页
Chinese Journal of Luminescence
基金
financial support from CNPq,CAPES,FACEPE,and FINEPagencies
funded by the Public Call n.03 Produtividade em Pesquisa PROPESQ/PRPG/UF-PB project number PVN13305-2020,and PROPESQ/CNPq/UFPB PIN11132-2019
developed within the scope of the project CICECO-Aveiro Institute of Materials,UIDB/50011/2020 and UIDP/50011/2020
financed by Portuguese funds through the FCT/MEC
co-financed by FEDER under the PT2020 Partnership Agreement
partial financial support under grants:Pronex APQ-0675-1.06/14,INCT-NANO-MARCS APQ-0549-1.06/17,APQ-1007-1.06/15,and CNPq-PQ fellowship(Proc.309177/2018-9)
关键词
无辐射能量传递
镧系
理论计算
Ln-Ln能量传递速率
选择定则
nonradiative energy transfer
lanthanides
theoretical calculations
Ln-Ln energy transfer rates
selection rules
