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Title: Electronic structural and magnetic properties of Mn{sub 5}Ge{sub 3} clusters

Theoretical understanding of the stability, ferromagnetism, and spin polarization of Mn{sub 5}Ge{sub 3} clusters has been performed by using the density functional theory with generalized gradient approximation for exchange and correlation. The magnetic moments and magnetic anisotropy energy (MAE) have been calculated for both bulk and clusters, and the enhanced magnetic moment as well as the enlarged MAE have been identified in clusters. The most attractive achievement is that Mn{sub 5}Ge{sub 3} clusters show a fine half-metallic character with large energy scales. The present results may have important implications for potential applications of small Mn{sub 5}Ge{sub 3} clusters as both emerging spintronics and next-generation data-storage technologies.
Authors:
; ; ; ;  [1]
  1. School of Physical Science and Technology, Southwest University, Chongqing 400715 (China)
Publication Date:
OSTI Identifier:
22251358
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 139; Journal Issue: 20; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANISOTROPY; DENSITY FUNCTIONAL METHOD; FERROMAGNETISM; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; SPIN ORIENTATION; STABILITY