A computation study of site occupancy in the commercial Mg28Ge7.55O32F15.04:Mn4+ phosphor

M. G. Brik; A. M. Srivastava

doi:10.1016/j.optmat.2016.02.044

A computation study of site occupancy in the commercial Mg₂₈Ge_7.55O₃₂F_15.04:Mn⁴⁺ phosphor

M. G. Brik^*
, A. M. Srivastava

^*Corresponding author for this work

Chongqing University of Posts and Telecommunications
University of Tartu
Jan Dlugosz University in Czestochowa
General Electric

Research output: Contribution to journal › Article › peer-review

32 Citations (Scopus)

Abstract

This is the first attempt to provide detailed crystal field analysis of the Mn⁴⁺ energy levels in the commercial magnesium fluorogermanate (MFG) phosphor. The energy levels of the Mn⁴⁺ ion (3d³ configuration) were calculated for all available sites in the lattice and the results compared with the experimental spectroscopic data. It is concluded that the Mn⁴⁺ ions prefer to occupy the sixfold coordinated Ge1 and Mg2 sites of the MFG lattice. The ligand of the Ge1 and Mg2 sites is oxygen [Ge(1)O₆ and Mg(2)O₆]. The incorporation of fluorine ions in the host lattice does not change the covalence of the Mn⁴⁺ bonding. This can be understood on the basis of our computational result which focuses on the distribution of the Mn⁴⁺ ion among the available lattice sites.

Original language	English
Pages (from-to)	245-251
Number of pages	7
Journal	Optical Materials
Volume	54
DOIs	https://doi.org/10.1016/j.optmat.2016.02.044
Publication status	Published - 1 Apr 2016
Externally published	Yes

Keywords

Crystal field analysis
MgGeOF
Mn
Site occupancy

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10.1016/j.optmat.2016.02.044

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title = "A computation study of site occupancy in the commercial Mg28Ge7.55O32F15.04:Mn4+ phosphor",

abstract = "This is the first attempt to provide detailed crystal field analysis of the Mn4+ energy levels in the commercial magnesium fluorogermanate (MFG) phosphor. The energy levels of the Mn4+ ion (3d3 configuration) were calculated for all available sites in the lattice and the results compared with the experimental spectroscopic data. It is concluded that the Mn4+ ions prefer to occupy the sixfold coordinated Ge1 and Mg2 sites of the MFG lattice. The ligand of the Ge1 and Mg2 sites is oxygen [Ge(1)O6 and Mg(2)O6]. The incorporation of fluorine ions in the host lattice does not change the covalence of the Mn4+ bonding. This can be understood on the basis of our computational result which focuses on the distribution of the Mn4+ ion among the available lattice sites.",

keywords = "Crystal field analysis, MgGeOF, Mn, Site occupancy",

author = "Brik, \{M. G.\} and Srivastava, \{A. M.\}",

note = "Publisher Copyright: {\textcopyright} 2016 Published by Elsevier B.V.",

year = "2016",

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doi = "10.1016/j.optmat.2016.02.044",

language = "English",

volume = "54",

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TY - JOUR

T1 - A computation study of site occupancy in the commercial Mg28Ge7.55O32F15.04:Mn4+ phosphor

AU - Brik, M. G.

AU - Srivastava, A. M.

PY - 2016/4/1

Y1 - 2016/4/1

N2 - This is the first attempt to provide detailed crystal field analysis of the Mn4+ energy levels in the commercial magnesium fluorogermanate (MFG) phosphor. The energy levels of the Mn4+ ion (3d3 configuration) were calculated for all available sites in the lattice and the results compared with the experimental spectroscopic data. It is concluded that the Mn4+ ions prefer to occupy the sixfold coordinated Ge1 and Mg2 sites of the MFG lattice. The ligand of the Ge1 and Mg2 sites is oxygen [Ge(1)O6 and Mg(2)O6]. The incorporation of fluorine ions in the host lattice does not change the covalence of the Mn4+ bonding. This can be understood on the basis of our computational result which focuses on the distribution of the Mn4+ ion among the available lattice sites.

AB - This is the first attempt to provide detailed crystal field analysis of the Mn4+ energy levels in the commercial magnesium fluorogermanate (MFG) phosphor. The energy levels of the Mn4+ ion (3d3 configuration) were calculated for all available sites in the lattice and the results compared with the experimental spectroscopic data. It is concluded that the Mn4+ ions prefer to occupy the sixfold coordinated Ge1 and Mg2 sites of the MFG lattice. The ligand of the Ge1 and Mg2 sites is oxygen [Ge(1)O6 and Mg(2)O6]. The incorporation of fluorine ions in the host lattice does not change the covalence of the Mn4+ bonding. This can be understood on the basis of our computational result which focuses on the distribution of the Mn4+ ion among the available lattice sites.

KW - Crystal field analysis

KW - MgGeOF

KW - Mn

KW - Site occupancy

UR - https://www.scopus.com/pages/publications/84959322467

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DO - 10.1016/j.optmat.2016.02.044

M3 - Article

AN - SCOPUS:84959322467

SN - 0925-3467

VL - 54

SP - 245

EP - 251

JO - Optical Materials

JF - Optical Materials

ER -

A computation study of site occupancy in the commercial Mg₂₈Ge_7.55O₃₂F_15.04:Mn⁴⁺ phosphor

Abstract

Keywords

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