Unusual Structure and Magnetism in MnO Nanoclusters

Autor:	Ganguly, Shreemoyee, Kabir, Mukul, Sanyal, Biplab, Mookerjee, Abhijit
Rok vydání:	2011
Předmět:	Condensed Matter - Mesoscale and Nanoscale Physics Physics - Atomic and Molecular Clusters
Zdroj:	Phys. Rev. B 83, 020411(R) (2011)
Druh dokumentu:	Working Paper
DOI:	10.1103/PhysRevB.83.020411
Popis:	We report an unusual evolution of structure and magnetism in stoichiometric MnO clusters based on an extensive and unbiased search through the potential energy surface within density functional theory. The smaller clusters, containing up to five MnO units, adopt two-dimensional structures; and regardless of the size of the cluster, magnetic coupling is found to be antiferromagnetic in contrast to previous theoretical findings. Predicted structure and magnetism are strikingly different from the magnetic core of Mn-based molecular magnets, whereas they were previously argued to be similar. Both of these features are explained through the inherent electronic structures of the clusters. Comment: 4 pages, 3 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1111.2586 Zobrazit plný text záznamu View this record from Arxiv