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^*

^*Corresponding author for this work

University of Tartu
West University of Timisoara

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

22 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	2642-2645
Number of pages	4
Journal	Journal of Luminescence
Volume	131
Issue number	12
DOIs	https://doi.org/10.1016/j.jlumin.2011.06.034
Publication status	Published - Dec 2011
Externally published	Yes

Keywords

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

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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",

issn = "0022-2313",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Exchange charge model and analysis of the microscopic crystal field effects in KAl(MoO4)2:Cr3

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

UR - https://www.scopus.com/pages/publications/79960253346

U2 - 10.1016/j.jlumin.2011.06.034

DO - 10.1016/j.jlumin.2011.06.034

M3 - Article

AN - SCOPUS:79960253346

SN - 0022-2313

VL - 131

SP - 2642

EP - 2645

JO - Journal of Luminescence

JF - Journal of Luminescence

IS - 12

ER -

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

Abstract

Keywords

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