Electronic Structure Calculation of Cr<sup>3+</sup> and Fe<sup>3+</sup> in Phosphor Host Materials Based on Relaxed Structures by Molecular Dynamics Simulation

Electronic Structure Calculation of Cr<sup>3+</sup> and Fe<sup>3+</sup> in Phosphor Host Materials Based on Relaxed Structures by Molecular Dynamics Simulation

The electronic structures of the luminescent center ions Cr<sup>3+</sup> and Fe<sup>3+</sup> in the deep red phosphors LiAl<sub>5</sub>O<sub>8</sub>:Cr<sup>3+</sup>, α-Al<sub>2</sub>O<sub>3</sub>:Cr<sup>3+</...

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Bibliographic Details
Main Authors: Joichiro Ichikawa, Hiroko Kominami, Kazuhiko Hara, Masato Kakihana, Yuta Matsushima
Format: Article
Language:English
Published: MDPI AG 2022-04-01
Series:Technologies
Subjects:
deep red phosphor
local distortion
electronic structure
molecular dynamics simulation
molecular orbital calculation
Online Access:https://www.mdpi.com/2227-7080/10/3/56

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