title: Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al(1-x)Mg(x))(Al(1-x)Si(1+x))O7:Eu(2+) Phosphor.
abstract: The union of structural and spectroscopic modeling can accelerate the discovery and improvement of phosphor materials if guided by an appropriate principle. Herein, we describe the concept of "chemical unit cosubstitution" as one such potential design scheme. We corroborate this strategy experimentally and computationally by applying it to the Ca2(Al(1-x)Mg(x))(Al(1-x)Si(1+x))O7:Eu(2+) solid solution phosphor. The cosubstitution is shown to be restricted to tetrahedral sites, which enables the tuning of luminescent properties. The emission peaks shift from 513 to 538 nm with a decreasing Stokes shift, which has been simulated by a crystal-field model. The correlation between the 5d crystal-field splitting of Eu(2+) ions and the local geometry structure of the substituted sites is also revealed. Moreover, an energy decrease of the electron-phonon coupling effect is explained on the basis of the configurational coordinate model.
authors.affiliation: School of Materials Sciences and Engineering, University of Science and Technology Beijing , Beijing 100083, China.|Department of Chemistry, Northwestern University , Evanston, Illinois 60208-3113, United States.
authors.forename: Zhiguo
authors.initials: Z
authors.lastname: Xia
authors.affiliation: College of Sciences, Chongqing University of Posts and Telecommunications , Chongqing 400065, China.
authors.forename: Chonggeng
authors.initials: C
authors.lastname: Ma
authors.affiliation: Laboratory of Crystal Physics, Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences , Krasnoyarsk 660036, Russia.|Department of Physics, Far Eastern State Transport University , Khabarovsk, 680021, Russia.
authors.forename: Maxim S
authors.initials: MS
authors.lastname: Molokeev
authors.affiliation: School of Materials Sciences and Engineering, University of Science and Technology Beijing , Beijing 100083, China.
authors.forename: Quanlin
authors.initials: Q
authors.lastname: Liu
authors.affiliation: Department of Chemistry, Northwestern University , Evanston, Illinois 60208-3113, United States.
authors.forename: Karl
authors.initials: K
authors.lastname: Rickert
authors.affiliation: Department of Chemistry, Northwestern University , Evanston, Illinois 60208-3113, United States.
authors.forename: Kenneth R
authors.initials: KR
authors.lastname: Poeppelmeier