Lattice Dynamical Calculations for Inverse Spinel Compounds |

A.K. Kushwaha
Department of Physics, K.N. Government P.G. College, Gyanpur, Bhadohi-221 304, India |

Received: May 15, 2014; In final form: January 21, 2015 |

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Lattice dynamical calculations have been performed for inverse spinel structure compounds MIn_{2}S_{4} (M = Mn and Co) using the proposed six parameter bond-bending force constant model. In this model, the short-range force constant is calculated by using the Taylor expansion of the potential energy in the harmonic approximation. This model is applied to study the zone-centre (Γ = 0) phonon frequencies of inverse spinels MIn_{2}S_{4} (M = Mn and Co). The significant outcome of the present work is that the second neighbor interactions (octahedral bonding) are stronger than the first neighbor interactions (tetrahedral bonding). The zone-center phonon frequencies, calculated using these parameters, are found to be in very good agreement with the observed results. |

DOI: 10.12693/APhysPolA.127.741 PACS numbers: 63.20.-e |