Exchange charge model and analysis of the microscopic crystal field effects in KAl(MoO4)2:Cr3

M. G. Brik; C. N. Avram

doi:10.1016/j.jlumin.2011.06.034

Exchange charge model and analysis of the microscopic crystal field effects in KAl(MoO₄)₂:Cr³

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

^*Šī darba korespondējošais autors

University of Tartu
West University of Timisoara

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

22 Atsauces (Scopus)

Kopsavilkums

In the present paper, we report on consistent crystal field calculations of the Cr³ ions energy levels in KAl(MoO₄)₂ using actual D_3d site symmetry of the Cr³ position and employing the exchange charge model (ECM) of the crystal field. In addition to the energy level calculations, the HuangRhys factor S=5.7 and effective phonon energy ℏω=268 cm¹ were evaluated in the single configurational coordinate model. Detailed treatment of the microscopic crystal field effects in the ECM framework allowed to obtain analytical dependence of the crystal field strength 10Dq on the CrO interionic distance and extracting from it the values of some parameters of the electronvibrational interaction (EVI) in the KAl(MoO₄)₂:Cr³ system. All obtained results are compared with experimental data and discussed; agreement between the calculated and experimental parameters is good.

Oriģinālvaloda	Angļu
Lapas (no-līdz)	2642-2645
Lapu skaits	4
Žurnāls	Journal of Luminescence
Sējums	131
Izdevuma numurs	12
DOIs	https://doi.org/10.1016/j.jlumin.2011.06.034
Publikācijas statuss	Publicēts - dec. 2011
Ārēji publicēts	Jā

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10.1016/j.jlumin.2011.06.034

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title = "Exchange charge model and analysis of the microscopic crystal field effects in KAl(MoO4)2:Cr3",

abstract = "In the present paper, we report on consistent crystal field calculations of the Cr3 ions energy levels in KAl(MoO4)2 using actual D3d site symmetry of the Cr3 position and employing the exchange charge model (ECM) of the crystal field. In addition to the energy level calculations, the HuangRhys factor S=5.7 and effective phonon energy ℏω=268 cm1 were evaluated in the single configurational coordinate model. Detailed treatment of the microscopic crystal field effects in the ECM framework allowed to obtain analytical dependence of the crystal field strength 10Dq on the CrO interionic distance and extracting from it the values of some parameters of the electronvibrational interaction (EVI) in the KAl(MoO4)2:Cr3 system. All obtained results are compared with experimental data and discussed; agreement between the calculated and experimental parameters is good.",

keywords = "Cr:KAl(MoO) crystal, Crystal field parameters, Electronvibration interactions, Energy levels calculations, HuangRhys factor",

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

year = "2011",

month = dec,

doi = "10.1016/j.jlumin.2011.06.034",

language = "English",

volume = "131",

pages = "2642--2645",

journal = "Journal of Luminescence",

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publisher = "Elsevier B.V.",

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AU - Brik, M. G.

AU - Avram, C. N.

PY - 2011/12

Y1 - 2011/12

N2 - In the present paper, we report on consistent crystal field calculations of the Cr3 ions energy levels in KAl(MoO4)2 using actual D3d site symmetry of the Cr3 position and employing the exchange charge model (ECM) of the crystal field. In addition to the energy level calculations, the HuangRhys factor S=5.7 and effective phonon energy ℏω=268 cm1 were evaluated in the single configurational coordinate model. Detailed treatment of the microscopic crystal field effects in the ECM framework allowed to obtain analytical dependence of the crystal field strength 10Dq on the CrO interionic distance and extracting from it the values of some parameters of the electronvibrational interaction (EVI) in the KAl(MoO4)2:Cr3 system. All obtained results are compared with experimental data and discussed; agreement between the calculated and experimental parameters is good.

AB - In the present paper, we report on consistent crystal field calculations of the Cr3 ions energy levels in KAl(MoO4)2 using actual D3d site symmetry of the Cr3 position and employing the exchange charge model (ECM) of the crystal field. In addition to the energy level calculations, the HuangRhys factor S=5.7 and effective phonon energy ℏω=268 cm1 were evaluated in the single configurational coordinate model. Detailed treatment of the microscopic crystal field effects in the ECM framework allowed to obtain analytical dependence of the crystal field strength 10Dq on the CrO interionic distance and extracting from it the values of some parameters of the electronvibrational interaction (EVI) in the KAl(MoO4)2:Cr3 system. All obtained results are compared with experimental data and discussed; agreement between the calculated and experimental parameters is good.

KW - Cr:KAl(MoO) crystal

KW - Crystal field parameters

KW - Electronvibration interactions

KW - Energy levels calculations

KW - HuangRhys factor

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DO - 10.1016/j.jlumin.2011.06.034

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