Crystal field calculations of energy levels of the Ni2+ ions in MgO

N. Mironova-Ulmane; M. G. Brik; I. Sildos

doi:10.1016/j.jlumin.2012.10.026

Crystal field calculations of energy levels of the Ni2+ ions in MgO

N. Mironova-Ulmane
, M. G. Brik^*
, I. Sildos

^*Corresponding author for this work

Laboratory of Spectroscopy, Institute of Solid State Physics

University of Tartu

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

26 Citations (Scopus)

Abstract

The electronic energy levels of six-fold coordinated Ni²⁺ ion in magnesium oxide MgO were calculated using the exchange charge model of crystal field theory. The calculated energetic positions of the Ni²⁺ levels match well the experimental spectrum. Inclusion of the spin-orbit (SO) interaction is compulsory to account for the first excited ³T _2g state fine structure; however, it does not explain why out of four levels arising from the ³T_2g state, only two are seen in the experimental spectra. One possible explanation to this fact can be advanced by invoking the Jahn-Teller effect.

Original language	English
Pages (from-to)	74-78
Number of pages	5
Journal	Journal of Luminescence
Volume	135
DOIs	https://doi.org/10.1016/j.jlumin.2012.10.026
Publication status	Published - 2013

OECD Field of Science

1.3 Physical Sciences

Keywords

Crystal field theory
Ni ions
Spin-orbit splitting

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10.1016/j.jlumin.2012.10.026

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title = "Crystal field calculations of energy levels of the Ni2+ ions in MgO",

abstract = "The electronic energy levels of six-fold coordinated Ni2+ ion in magnesium oxide MgO were calculated using the exchange charge model of crystal field theory. The calculated energetic positions of the Ni2+ levels match well the experimental spectrum. Inclusion of the spin-orbit (SO) interaction is compulsory to account for the first excited 3T 2g state fine structure; however, it does not explain why out of four levels arising from the 3T2g state, only two are seen in the experimental spectra. One possible explanation to this fact can be advanced by invoking the Jahn-Teller effect.",

keywords = "Crystal field theory, Ni ions, Spin-orbit splitting",

author = "N. Mironova-Ulmane and Brik, \{M. G.\} and I. Sildos",

year = "2013",

doi = "10.1016/j.jlumin.2012.10.026",

language = "English",

volume = "135",

pages = "74--78",

journal = "Journal of Luminescence",

issn = "0022-2313",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Crystal field calculations of energy levels of the Ni2+ ions in MgO

AU - Mironova-Ulmane, N.

AU - Brik, M. G.

AU - Sildos, I.

PY - 2013

Y1 - 2013

N2 - The electronic energy levels of six-fold coordinated Ni2+ ion in magnesium oxide MgO were calculated using the exchange charge model of crystal field theory. The calculated energetic positions of the Ni2+ levels match well the experimental spectrum. Inclusion of the spin-orbit (SO) interaction is compulsory to account for the first excited 3T 2g state fine structure; however, it does not explain why out of four levels arising from the 3T2g state, only two are seen in the experimental spectra. One possible explanation to this fact can be advanced by invoking the Jahn-Teller effect.

AB - The electronic energy levels of six-fold coordinated Ni2+ ion in magnesium oxide MgO were calculated using the exchange charge model of crystal field theory. The calculated energetic positions of the Ni2+ levels match well the experimental spectrum. Inclusion of the spin-orbit (SO) interaction is compulsory to account for the first excited 3T 2g state fine structure; however, it does not explain why out of four levels arising from the 3T2g state, only two are seen in the experimental spectra. One possible explanation to this fact can be advanced by invoking the Jahn-Teller effect.

KW - Crystal field theory

KW - Ni ions

KW - Spin-orbit splitting

UR - https://www.scopus.com/pages/publications/84869137652

UR - https://www.sciencedirect.com/science/article/pii/S0022231312006126

U2 - 10.1016/j.jlumin.2012.10.026

DO - 10.1016/j.jlumin.2012.10.026

M3 - Article

AN - SCOPUS:84869137652

SN - 0022-2313

VL - 135

SP - 74

EP - 78

JO - Journal of Luminescence

JF - Journal of Luminescence

ER -

Crystal field calculations of energy levels of the Ni2+ ions in MgO

Abstract

OECD Field of Science

Keywords

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