Jahn-Teller vibronic coupling in II-VI compounds with Cr2+ ion

S. I. Klokishner; B. S. Tsukerblat; O. S. Reu; A. V. Palii; S. M. Ostrovsky

doi:10.1016/j.chemphys.2005.04.032

Jahn-Teller vibronic coupling in II-VI compounds with Cr²⁺ ion

S. I. Klokishner, B. S. Tsukerblat, O. S. Reu, A. V. Palii, S. M. Ostrovsky

Department of Chemistry

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

34 Scopus citations

Abstract

A theoretical study of the vibronic Jahn-Teller interaction in a series of II-VI crystals doped with Cr²⁺ ion is reported. The vibronic coupling parameters for the tetrahedrally coordinated Cr²⁺ ion (high-spin d⁴ configuration) are evaluated in the framework of the exchange charge model of the crystal field accounting for the exchange and covalence effects. The calculations demonstrate the leading role of the trigonal vibrations for the ⁵T₂ term although the contribution of tetragonal modes is also important; the full symmetric and tetragonal vibrations for the ⁵E term significantly contribute to the phonon broadening of the absorption and emission bands related to the ⁵E ↔ ⁵T₂ transition in Cr²⁺ ion.

Original language	English
Pages (from-to)	83-92
Number of pages	10
Journal	Chemical Physics
Volume	316
Issue number	1-3
DOIs	https://doi.org/10.1016/j.chemphys.2005.04.032
State	Published - 19 Sep 2005

Keywords

Chalcogenide type crystals
Chromium ions
Jahn-Teller coupling
Vibronic constants

ASJC Scopus subject areas

Physics and Astronomy (all)
Physical and Theoretical Chemistry

Access to Document

10.1016/j.chemphys.2005.04.032

Cite this

@article{e1ef65566d324e8a9b7204b37b9438bb,

title = "Jahn-Teller vibronic coupling in II-VI compounds with Cr2+ ion",

abstract = "A theoretical study of the vibronic Jahn-Teller interaction in a series of II-VI crystals doped with Cr2+ ion is reported. The vibronic coupling parameters for the tetrahedrally coordinated Cr2+ ion (high-spin d4 configuration) are evaluated in the framework of the exchange charge model of the crystal field accounting for the exchange and covalence effects. The calculations demonstrate the leading role of the trigonal vibrations for the 5T2 term although the contribution of tetragonal modes is also important; the full symmetric and tetragonal vibrations for the 5E term significantly contribute to the phonon broadening of the absorption and emission bands related to the 5E ↔ 5T2 transition in Cr2+ ion.",

keywords = "Chalcogenide type crystals, Chromium ions, Jahn-Teller coupling, Vibronic constants",

author = "Klokishner, {S. I.} and Tsukerblat, {B. S.} and Reu, {O. S.} and Palii, {A. V.} and Ostrovsky, {S. M.}",

note = "Funding Information: Financial support from USA–Israel Binational Science Foundation (Proposal No. 2002409) is highly appreciated. B. Ts. thanks also the Council for Higher Education of Israel for the financial support. S.K., O.R., A.P. and S.O. thank the Supreme Council on Science and Technological Development of Moldova for the financial support (Grant No. 45-004P in the framework of the National Program “Nanotechnology, new multifunctional materials and electronic microsystems”).",

year = "2005",

month = sep,

day = "19",

doi = "10.1016/j.chemphys.2005.04.032",

language = "English",

volume = "316",

pages = "83--92",

journal = "Chemical Physics",

issn = "0301-0104",

publisher = "Elsevier",

number = "1-3",

}

TY - JOUR

T1 - Jahn-Teller vibronic coupling in II-VI compounds with Cr2+ ion

AU - Klokishner, S. I.

AU - Tsukerblat, B. S.

AU - Reu, O. S.

AU - Palii, A. V.

AU - Ostrovsky, S. M.

N1 - Funding Information: Financial support from USA–Israel Binational Science Foundation (Proposal No. 2002409) is highly appreciated. B. Ts. thanks also the Council for Higher Education of Israel for the financial support. S.K., O.R., A.P. and S.O. thank the Supreme Council on Science and Technological Development of Moldova for the financial support (Grant No. 45-004P in the framework of the National Program “Nanotechnology, new multifunctional materials and electronic microsystems”).

PY - 2005/9/19

Y1 - 2005/9/19

N2 - A theoretical study of the vibronic Jahn-Teller interaction in a series of II-VI crystals doped with Cr2+ ion is reported. The vibronic coupling parameters for the tetrahedrally coordinated Cr2+ ion (high-spin d4 configuration) are evaluated in the framework of the exchange charge model of the crystal field accounting for the exchange and covalence effects. The calculations demonstrate the leading role of the trigonal vibrations for the 5T2 term although the contribution of tetragonal modes is also important; the full symmetric and tetragonal vibrations for the 5E term significantly contribute to the phonon broadening of the absorption and emission bands related to the 5E ↔ 5T2 transition in Cr2+ ion.

AB - A theoretical study of the vibronic Jahn-Teller interaction in a series of II-VI crystals doped with Cr2+ ion is reported. The vibronic coupling parameters for the tetrahedrally coordinated Cr2+ ion (high-spin d4 configuration) are evaluated in the framework of the exchange charge model of the crystal field accounting for the exchange and covalence effects. The calculations demonstrate the leading role of the trigonal vibrations for the 5T2 term although the contribution of tetragonal modes is also important; the full symmetric and tetragonal vibrations for the 5E term significantly contribute to the phonon broadening of the absorption and emission bands related to the 5E ↔ 5T2 transition in Cr2+ ion.

KW - Chalcogenide type crystals

KW - Chromium ions

KW - Jahn-Teller coupling

KW - Vibronic constants

UR - http://www.scopus.com/inward/record.url?scp=24344434664&partnerID=8YFLogxK

U2 - 10.1016/j.chemphys.2005.04.032

DO - 10.1016/j.chemphys.2005.04.032

M3 - Article

AN - SCOPUS:24344434664

SN - 0301-0104

VL - 316

SP - 83

EP - 92

JO - Chemical Physics

JF - Chemical Physics

IS - 1-3

ER -