First-Principles Investigation of Electronic Structure and Energy Level Scheme of Phosphors: The Lanthanide-Doped Sr2P2O7

2021 ◽  
Author(s):  
Jinying Yu ◽  
Yufan Fan ◽  
Lina Wu ◽  
Bei Sun ◽  
Yelong Wu
Keyword(s):  
Electronic Structure ◽  
Energy Level ◽  
Level Scheme ◽  
First Principles ◽  
Energy Level Scheme

First-Principles Analysis of the Rb2CrF6 Absorption Spectrum

2006 ◽  
Vol 61 (5-6) ◽  
pp. 293-298 ◽  
Author(s):  
Mikhail G. Brik
Keyword(s):  
Absorption Spectrum ◽  
Energy Level ◽  
Level Scheme ◽  
First Principles ◽  
Significant Contribution ◽  
Molecular Orbitals ◽  
Wave Functions ◽  
Ground State Absorption ◽  
Energy Level Scheme ◽  
High Degree

A systematic first-principles analysis of the energy level scheme and absorption spectrum of Cr4+ in Rb2CrF6 crystal is presented. The recently developed first-principles approach to the analysis of the absorption spectra of ions in crystals based on the discrete variational multi-electron (DV-ME) method was used in the calculations. The method is based on the numerical solution of the Dirac equation and has a wide area of applicability. As a result, the complete energy level scheme of Cr4+ and its absorption spectrum were calculated, assigned and compared with available experimental literature data on the ground state absorption. Numerical contributions of all possible electron configurations to the wave functions of the calculated states were determined. By analysing the molecular orbitals population, numerical contributions of the fluorine 2p- and 2s-orbitals to the 3d-molecular orbitals were determined. The significant contribution of the ligand’s wave functions shows the high degree of covalency in the considered crystal. - PACS numbers: 71.70.Ch, 71.70.Ej

scholarly journals Energy level scheme ofInAs/InxGa1−xAs/GaAsquantum-dots-in-a-well infrared photodetector structures

2010 ◽  
Vol 82 (3) ◽  
Author(s):  
L. Höglund ◽  
K. F. Karlsson ◽  
P. O. Holtz ◽  
H. Pettersson ◽  
M. E. Pistol ◽  
...  
Keyword(s):  
Energy Level ◽  
Level Scheme ◽  
Infrared Photodetector ◽  
Energy Level Scheme

Parametric analysis of the energy level scheme of Ho3+ in HoOCl

2000 ◽  
Vol 87-89 ◽  
pp. 1052-1055 ◽  
Author(s):  
Jorma Hölsä ◽  
Ralf-Johan Lamminmäki ◽  
Mika Lastusaari ◽  
Elena P Chukalina ◽  
Marina N. Popova ◽  
...  
Keyword(s):  
Energy Level ◽  
Level Scheme ◽  
Parametric Analysis ◽  
Energy Level Scheme

Simulation of the Gd3+ energy level scheme in GdOCl

2001 ◽  
Vol 323-324 ◽  
pp. 811-815 ◽  
Author(s):  
Jorma Hölsä ◽  
Ralf-Johan Lamminmäki ◽  
Mika Lastusaari ◽  
Pierre Porcher
Keyword(s):  
Energy Level ◽  
Level Scheme ◽  
Energy Level Scheme

OPTICAL TRANSITIONS AND THE ENERGY LEVEL SCHEME OF THE EUROPIUM CHALCOGENIDES

1971 ◽  
Vol 32 (C1) ◽  
pp. C1-928-C1-929 ◽  
Author(s):  
G. BUSCH ◽  
G. GÜNTHERODT ◽  
P. WACHTER
Keyword(s):  
Energy Level ◽  
Level Scheme ◽  
Optical Transitions ◽  
Energy Level Scheme

Designing a novel red to near-infrared persistent phosphor CaMgGe2O6:Mn2+,Sm3+based on a vacuum referred binding energy diagram

2019 ◽  
Vol 48 (29) ◽  
pp. 11052-11062 ◽  
Author(s):  
Qiangfei Ye ◽  
Yuhua Wang ◽  
Haijie Guo ◽  
Xufeng Zhou ◽  
Peng Feng ◽  
...  
Keyword(s):  
Binding Energy ◽  
Energy Level ◽  
Level Scheme ◽  
Near Infrared ◽  
Luminescent Properties ◽  
Energy Level Scheme ◽  
Energy Diagram

We constructed an empirical energy level scheme of the CaMgGe2O6:Ln2+/Ln3+phosphors and improved the persistent luminescent properties of the sample, which the persistence duration was three times that of the red commercial phosphor Y2O2S:Eu3+.

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