Ab Initio Calculations of Electronic and Magnetic Properties of AlMnO3 Perovskite Manganites

Abdullah Chik; S. Saad; Yeoh Cheow Keat; R.M. Zaki; Faizul Che Pa

doi:10.4028/www.scientific.net/AMM.754-755.757

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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 754-755Ab Initio Calculations of Electronic and Magnetic...

Ab Initio Calculations of Electronic and Magnetic Properties of AlMnO₃ Perovskite Manganites

Abstract:

The electronic structure of the perovskite manganites AlMnO₃ cubic crystal was presented. The calculations were made within density functional theory and PBE exchange correlations energy approximation. It was found that the crystal exhibit covalent bonding between Mn and O with superexchange mechanism. At groundstate, AlMnO₃ stabilizes in antiferromagnetic structure with semi metallic like nature at the ground state.

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Applied Mechanics and Materials (Volumes 754-755)

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757-761

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.754-755.757

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Online since:

April 2015

Authors:

Abdullah Chik*, S. Saad, Yeoh Cheow Keat, R.M. Zaki, Faizul Che Pa

Keywords:

An Initio, Density Functional Theory, Manganite

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