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2007 | 112 | 5 | 829-833
Article title

Geometry of the ^4T_{2g} Excited State in Cs_2SiF_6:Mn^{4+}

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EN
Abstracts
EN
The aim of this paper is to calculate the equilibrium displacements of the ^4T_{2g} potential surface minimum from the ground state along the a_{1g} and e_g Jahn-Teller active modes for the octahedral [MnF_6]^{2-} cluster obtained by doping Mn^{4+} ions in Cs_2SiF_6 host crystal. The equilibrium displacements in normal and Cartesian coordinates were estimated from force constants of [MnF_6]^{2-} cluster and Huang-Rhys factors associated with the Jahn-Teller stabilization energy. A net equatorial expansion and an axial stretching of the geometry of the [MnF_6]_{2-} cluster in first ^4T_{2g} excited state, as combined effect of the a_{1g} and e_g displacements, were demonstrated.
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Year
Volume
112
Issue
5
Pages
829-833
Physical description
Dates
published
2007-11
received
2007-09-03
Contributors
author
  • Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300233 Timisoara, Romania
author
  • Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300233 Timisoara, Romania
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv112n516kz
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