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Ab-Initio Study on the Magnetic Structures in the Ordered Mn3Pt Alloy

2008/06/23 by Yohei Kota, Y. Kota, Hiroki Tsuchiura +3 · 14 citations
Chemistry · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Alloy #Antiferromagnetism #Heusler alloys: electronic and magnetic properties #Magnetic moment #Magnetic properties of thin films #Magnetic shape-memory alloy #Magnetic structure #Neutron scattering #Paramagnetism #Phase (matter) #Range (aeronautics) #Spin (aerodynamics) #cond-mat.mtrl-sci #cond-mat.other

paper · pdf · doi:10.1109/tmag.2008.2001678

published in IEEE Transactions on Magnetics 44(11), 3131-3133 (IEEE Magnetics Society) · 4 pages, 4 figures

arxiv created 2008/06/23 · openalex publication_date 2008/11/01 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

We study the electronic states of the magnetically ordered Mn3Pt alloy within the density functional theory. Mn3Pt has been believed that one third of Mn atoms have no magnetic moment in an antiferromagnetic phase (so-called the F-phase) realized in the temperature range of 400 K <T<475 K. We show that this experimentally suggested spin configuration is energetically so much unfavorable that it would be irrelevant to the F-phase. We discuss the possibility that the spin moments on the one third of Mn atoms are not paramagnetic but thermally fluctuating in the F-phase. The present results have an immediate connection with the recent neutron scattering study [T. Ikeda and Y. Tsunoda, J. Phys. Soc. Jpn., vol. 72, pp. 2614-2621, October 2003].

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