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Abstract

Research & Development in Material Science

Antiferromagnetic Insulator Double Perovskite La2CoZrO6

Submission: April 02, 2018;Published: April 12, 2018

DOI: 10.31031/RDMS.2018.05.000616

ISSN: 2576-8840
Volume5 Issue4

Abstract

Density functional theory and generalized gradient approximation (GGA) with onsite Coulomb interaction (GGA+U) is used to calculate the magnetic properties of new material La2CoZrO6. Here, we considered the possibilities of four magnetic orderings: ferromagnetic, ferrimagnetic, antiferromagnetic, and nonmagnetic states. Under the GGA+U scheme, we finally find that the antiferromagnetic insulator stands out as the most stable state among these four states.

Keywords: Half-metal; Double perovskite; First principle calculations

Abbreviations: AFM: Antiferromagnetic; HM: Half Metal; IS: Insulator; FM: Ferromagnetic

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