Giant magnetic moments of Pd-doped manganese clusters

Autor:	Bao-An Gong, Shuqing Yan, Jian-Gang Yao, Yuan-Xu Wang, Quan-Xun Yu
Rok vydání:	2013
Předmět:	Magnetic moment Chemistry Doping Binding energy Biophysics chemistry.chemical_element Manganese Condensed Matter Physics Crystallography Ferromagnetism Density functional theory Physical and Theoretical Chemistry Atomic physics Molecular Biology Electronic properties
Zdroj:	Molecular Physics. 111:951-957
ISSN:	1362-3028 0026-8976
DOI:	10.1080/00268976.2012.760051
Popis:	For the sake of producing a giant magnetic moment in small manganese clusters, we have performed a density function theory calculation on Mn N Pd (N = 1–5) clusters. The results demonstrate that the doped -Pd atoms do not alter the basic framework, but significantly improve the average binding energy of host Mn clusters. The interaction among Mn atoms for Mn N Pd becomes weaker in comparison with corresponding Mn N clusters which plays an important role in the appearance of giant magnetic moments of the system. Mn4Pd is the most promising in terms of gaining substantial binding energy as well as achieving larger ferromagnetic alignment (20μ B).
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::be6762cb675591e3c34cd9cd81f0b2f2 https://doi.org/10.1080/00268976.2012.760051 Zobrazit plný text záznamu