Jahn-Teller effect in the 4T2g excited state of Cr3+ ion in Cs2NaYF6 crystal

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

doi:10.1016/j.jlumin.2007.10.038

Jahn-Teller effect in the ⁴T_2g excited state of Cr³⁺ ion in Cs₂NaYF₆ crystal

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

^*Corresponding author for this work

West University of Timisoara
University of Tartu

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

4 Citations (Scopus)

Abstract

Calculations of the fine structure of Cr³⁺ energy levels in Cs₂NaYF₆ accompanied by estimations of the Jahn-Teller (JT) stabilization energy in the first excited ⁴T_2g state of Cr³⁺ ion are presented. Two independent approaches-effective second-order spin-orbit Hamiltonian and analysis of the potential energy surfaces-are used. The JT energy was estimated to be 216 and 257 cm^-1 in the first and the second models, respectively. It is shown that the octahedral [CrF₆]^3- complex undergoes an equatorial expansion by 0.09 Å and an axial elongation by 0.02 Å due to the combined effect of the a_1g and e_g normal modes.

Original language	English
Pages (from-to)	982-984
Number of pages	3
Journal	Journal of Luminescence
Volume	128
Issue number	5-6
DOIs	https://doi.org/10.1016/j.jlumin.2007.10.038
Publication status	Published - 2008
Externally published	Yes

Keywords

Cr-doped crystal
Crystal field
Jahn-Teller effect

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10.1016/j.jlumin.2007.10.038

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title = "Jahn-Teller effect in the 4T2g excited state of Cr3+ ion in Cs2NaYF6 crystal",

abstract = "Calculations of the fine structure of Cr3+ energy levels in Cs2NaYF6 accompanied by estimations of the Jahn-Teller (JT) stabilization energy in the first excited 4T2g state of Cr3+ ion are presented. Two independent approaches-effective second-order spin-orbit Hamiltonian and analysis of the potential energy surfaces-are used. The JT energy was estimated to be 216 and 257 cm-1 in the first and the second models, respectively. It is shown that the octahedral [CrF6]3- complex undergoes an equatorial expansion by 0.09 {\AA} and an axial elongation by 0.02 {\AA} due to the combined effect of the a1g and eg normal modes.",

keywords = "Cr-doped crystal, Crystal field, Jahn-Teller effect",

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

year = "2008",

doi = "10.1016/j.jlumin.2007.10.038",

language = "English",

volume = "128",

pages = "982--984",

journal = "Journal of Luminescence",

issn = "0022-2313",

publisher = "Elsevier B.V.",

number = "5-6",

}

TY - JOUR

T1 - Jahn-Teller effect in the 4T2g excited state of Cr3+ ion in Cs2NaYF6 crystal

AU - Avram, C. N.

AU - Brik, M. G.

AU - Avram, N. M.

PY - 2008

Y1 - 2008

N2 - Calculations of the fine structure of Cr3+ energy levels in Cs2NaYF6 accompanied by estimations of the Jahn-Teller (JT) stabilization energy in the first excited 4T2g state of Cr3+ ion are presented. Two independent approaches-effective second-order spin-orbit Hamiltonian and analysis of the potential energy surfaces-are used. The JT energy was estimated to be 216 and 257 cm-1 in the first and the second models, respectively. It is shown that the octahedral [CrF6]3- complex undergoes an equatorial expansion by 0.09 Å and an axial elongation by 0.02 Å due to the combined effect of the a1g and eg normal modes.

AB - Calculations of the fine structure of Cr3+ energy levels in Cs2NaYF6 accompanied by estimations of the Jahn-Teller (JT) stabilization energy in the first excited 4T2g state of Cr3+ ion are presented. Two independent approaches-effective second-order spin-orbit Hamiltonian and analysis of the potential energy surfaces-are used. The JT energy was estimated to be 216 and 257 cm-1 in the first and the second models, respectively. It is shown that the octahedral [CrF6]3- complex undergoes an equatorial expansion by 0.09 Å and an axial elongation by 0.02 Å due to the combined effect of the a1g and eg normal modes.

KW - Cr-doped crystal

KW - Crystal field

KW - Jahn-Teller effect

UR - https://www.scopus.com/pages/publications/40649088536

U2 - 10.1016/j.jlumin.2007.10.038

DO - 10.1016/j.jlumin.2007.10.038

M3 - Article

AN - SCOPUS:40649088536

SN - 0022-2313

VL - 128

SP - 982

EP - 984

JO - Journal of Luminescence

JF - Journal of Luminescence

IS - 5-6

ER -

Jahn-Teller effect in the ⁴T_2g excited state of Cr³⁺ ion in Cs₂NaYF₆ crystal

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Keywords

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