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STRUCTURAL PHASE TRANSITION INDUCED BY PRESSURE IN THE ORDERED ALLOY FeRh

M. RAJAGOPALAN

Max Planck Institute fur Festkorperforschung, D-70589 Stuttgart, Germany

Department of Physics, Anna University, Chennai-600025, India

https://doi.org/10.1142/S0217979205032164Cited by:6 (Source: Crossref)

Abstract

First-principles density functional calculation of the total energy as a function of volume has been performed by the TB-LMTO approach for the ordered alloy FeRh in the anti-ferromagnetic state. We find that FeRh undergoes a structural phase transition from NaCl-type to tetragonal-type structure around 20.3 GPa which is in best agreement with the recent experimental observation. The calculations show that the energy of the antiferromagnetic ground state is lower than the one for the ferromagnetic state at ambient conditions.

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