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^*

^*Šī darba korespondējošais autors

Kyoto University
West University of Timisoara

Zinātniskās darbības rezultāts: Devums žurnālam › Zinātniskais raksts (žurnālā) › koleģiāli recenzēts

25 Atsauces (Scopus)

Kopsavilkums

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.

Oriģinālvaloda	Angļu
Lapas (no-līdz)	1796-1801
Lapu skaits	6
Žurnāls	Journal of Physics and Chemistry of Solids
Sējums	69
Izdevuma numurs	7
DOIs	https://doi.org/10.1016/j.jpcs.2008.01.004
Publikācijas statuss	Publicēts - jūl. 2008
Ārēji publicēts	Jā

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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",

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

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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

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VL - 69

SP - 1796

EP - 1801

JO - Journal of Physics and Chemistry of Solids

JF - Journal of Physics and Chemistry of Solids

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