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

• Authors: A. Reisz , C. Avram
• Languages of publication: 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.

Keywords

EN

71.70.Ej; 63.20.Kr; 63.70.+h

Discipline

• 63.70.+h: Statistical mechanics of lattice vibrations and displacive phase transitions
• 71.70.Ej: Spin-orbit coupling, Zeeman and Stark splitting, Jahn-Teller effect

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2007
• Volume: 112
• Issue: 5
• Pages: 829-833

Dates

published

2007-11

received

2007-09-03

Contributors

author

A. Reisz

• Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300233 Timisoara, Romania

author

C. Avram

• Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300233 Timisoara, Romania

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Identifiers

DOI

10.12693/APhysPolA.112.829