Double exchange mediated ferromagnetic coupling between Co atoms in dicobalt complex

Authors

Kalpataru Pradhan, Virginia Commonwealth UniversityFollow
Purusottam Jena, Virginia Commonwealth UniversityFollow

Document Type

Article

Original Publication Date

2011

Journal/Book/Conference Title

Applied Physics Letters

Volume

99

Issue

15

DOI of Original Publication

10.1063/1.3651486

Comments

Originally published at http://dx.doi.org/10.1063/1.3651486

Date of Submission

March 2015

Abstract

Realization of the full technological potential of molecular magnets requires a fundamental understanding of the origin of magnetic coupling in molecular systems. Using gradient corrected density functional theory and Cl as a ligand we show that the magnetic coupling between Co sites in a di-cobalt complex can be manipulated. While the ferromagnetic states of Co₂Cl₆ and Co₂Cl₇ are 0.07 eV and 0.20 eV lower in energy than their respective antiferromagnetic states, they are nearly degenerate in Co₂Cl₈. The origin of ferromagnetic coupling is explained using the double exchange model caused by charge disproportionation.

Rights

Pradhan, K., Jena, P. Double exchange mediated ferromagnetic coupling between Co atoms in dicobalt complex. Applied Physics Letters, 99, 153105 (2011). Copyright © 2011 AIP Publishing LLC.

Is Part Of

VCU Physics Publications