Document Type

Article

Original Publication Date

2012

Journal/Book/Conference Title

Physical Review B

Volume

86

Issue

17

DOI of Original Publication

10.1103/PhysRevB.86.174410

Comments

Originally published by the American Physical Society at: http://dx.doi.org/10.1103/PhysRevB.86.174410

Date of Submission

April 2015

Abstract

By using density functional theory, we show that the exceptionally low value of the total magnetic moment of Fe13+ observed in an experiment [Phys. Rev. Lett. 108, 057201 (2012)] is not due to antiferromagnetic coupling between the spins of the core and surface atoms as hypothesized but is due to the symmetry-driven quenching of the local spin moments of all atoms with the largest quenching observed for the central atom. Our study of Fe12+, Fe13+, Fe14+, and their neutral parents reveals that the total magnetic moment of Fe13+ decreases by 9μB with respect to that of neutral Fe13, whereas, the changes are 1μB and 3μB for Fe12+ and Fe14+, respectively.

Rights

Wu, M., Kandalam, A.K., Gutsev, G.L., et al. Origin of the anomalous magnetic behavior of the Fe13+ cluster. Physical Review B, 86, 174410 (2012). Copyright © 2012 American Physical Society.

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