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Zeitschrift für Naturforschung B Contents Vol. 69b (2014)

Z. Naturforsch. 2014, 69b, 141 – 149

doi:10.5560/ZNB.2014-3259

Optical Spectroscopy and Crystal Field Studies of the Mn⁴⁺ Ion (3d³) in the Double Perovskite NaLaMgTeO₆

Alok M. Srivastava¹, Mikhail G. Brik², Samuel J. Camardello¹, Holly A. Comanzo¹, and Florencio Garcia-Santamaria¹

¹GE Global Research, One Research Circle, Niskayuna, New York 12309, USA

²Institute of Physics, University of Tartu, Riia 142, Tartu 51014, Estonia

Reprint requests to Alok M. Srivastava. E-mail: srivastava@ge.com

Received August 21, 2013 / published online February 17, 2014

The spectroscopic properties of the Mn⁴⁺ ion (3d³) in the double perovskite NaLaMgTeO₆ are reported in this work. Evidence is presented for the occupation by the Mn⁴⁺ ion of both the six coordinated Mg²⁺ and Te⁶⁺ sites in the host structure. The Mn⁴⁺ energy levels are calculated using the exchange charge model of crystal field theory for both occupied sites. The results of our calculations yield the crystal field splitting and Racah parameters of Dq =2008  cm⁻¹, B =790  cm⁻¹, C =2881  cm⁻¹, with C/B = 3.65 (Mg²⁺ site) and Dq =2008  cm⁻¹, B =790  cm⁻¹, C =2949  cm⁻¹, with C/B = 3.73 (Te⁶⁺ site). A cross-cutting comparative study of the variations in the crystal field splitting and the Racah parameters of the six-coordinated Mn⁴⁺ ion in a series of materials with the perovskite structure are presented.

Key words: Mn⁴⁺ Ion, Crystal Field Splitting, Perovskites, Optical Materials

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