Comparative study of crystal field effects for Ni2+ ion in LiGa5O8, MgF2 and AgCl crystals

M. G. Brik; C. N. Avram; N. M. Avram

doi:10.1016/j.jpcs.2008.01.004

Comparative study of crystal field effects for Ni²⁺ ion in LiGa₅O₈, MgF₂ and AgCl crystals

M. G. Brik
, C. N. Avram
, N. M. Avram^*

^*Corresponding author for this work

Kyoto University
West University of Timisoara

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

25 Citations (Scopus)

Abstract

Exchange charge model (ECM) of crystal field was used to calculate the crystal field parameters (CFPs) and model the energy levels for Ni²⁺ ion in LiGa₅O₈, MgF₂ and AgCl crystals. Calculated energy levels (including splitting of the orbital triplets) are in good agreement with experimental absorption spectra. Covalent effects were shown to play an important role in all considered crystals. Bilinear forms built up from the overlap integrals between (Ni²⁺-Cl^-)→(Ni²⁺-O^2-)→(Ni²⁺-F^-) pairs were considered a quantitative measure of the covalent (nephelauxetic) effects.

Original language	English
Pages (from-to)	1796-1801
Number of pages	6
Journal	Journal of Physics and Chemistry of Solids
Volume	69
Issue number	7
DOIs	https://doi.org/10.1016/j.jpcs.2008.01.004
Publication status	Published - Jul 2008
Externally published	Yes

Keywords

D. Crystal fields
D. Electronic structure

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10.1016/j.jpcs.2008.01.004

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title = "Comparative study of crystal field effects for Ni2+ ion in LiGa5O8, MgF2 and AgCl crystals",

abstract = "Exchange charge model (ECM) of crystal field was used to calculate the crystal field parameters (CFPs) and model the energy levels for Ni2+ ion in LiGa5O8, MgF2 and AgCl crystals. Calculated energy levels (including splitting of the orbital triplets) are in good agreement with experimental absorption spectra. Covalent effects were shown to play an important role in all considered crystals. Bilinear forms built up from the overlap integrals between (Ni2+-Cl-)→(Ni2+-O2-)→(Ni2+-F-) pairs were considered a quantitative measure of the covalent (nephelauxetic) effects.",

keywords = "D. Crystal fields, D. Electronic structure",

author = "Brik, \{M. G.\} and Avram, \{C. N.\} and Avram, \{N. M.\}",

year = "2008",

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doi = "10.1016/j.jpcs.2008.01.004",

language = "English",

volume = "69",

pages = "1796--1801",

journal = "Journal of Physics and Chemistry of Solids",

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TY - JOUR

T1 - Comparative study of crystal field effects for Ni2+ ion in LiGa5O8, MgF2 and AgCl crystals

AU - Brik, M. G.

AU - Avram, C. N.

AU - Avram, N. M.

PY - 2008/7

Y1 - 2008/7

N2 - Exchange charge model (ECM) of crystal field was used to calculate the crystal field parameters (CFPs) and model the energy levels for Ni2+ ion in LiGa5O8, MgF2 and AgCl crystals. Calculated energy levels (including splitting of the orbital triplets) are in good agreement with experimental absorption spectra. Covalent effects were shown to play an important role in all considered crystals. Bilinear forms built up from the overlap integrals between (Ni2+-Cl-)→(Ni2+-O2-)→(Ni2+-F-) pairs were considered a quantitative measure of the covalent (nephelauxetic) effects.

AB - Exchange charge model (ECM) of crystal field was used to calculate the crystal field parameters (CFPs) and model the energy levels for Ni2+ ion in LiGa5O8, MgF2 and AgCl crystals. Calculated energy levels (including splitting of the orbital triplets) are in good agreement with experimental absorption spectra. Covalent effects were shown to play an important role in all considered crystals. Bilinear forms built up from the overlap integrals between (Ni2+-Cl-)→(Ni2+-O2-)→(Ni2+-F-) pairs were considered a quantitative measure of the covalent (nephelauxetic) effects.

KW - D. Crystal fields

KW - D. Electronic structure

UR - https://www.scopus.com/pages/publications/44549085391

U2 - 10.1016/j.jpcs.2008.01.004

DO - 10.1016/j.jpcs.2008.01.004

M3 - Article

AN - SCOPUS:44549085391

SN - 0022-3697

VL - 69

SP - 1796

EP - 1801

JO - Journal of Physics and Chemistry of Solids

JF - Journal of Physics and Chemistry of Solids

IS - 7

ER -

Comparative study of crystal field effects for Ni²⁺ ion in LiGa₅O₈, MgF₂ and AgCl crystals

Abstract

Keywords

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