Ab-initio study on the magnetic structures in the ordered Mn3Pt alloy

Yohei Kota; Hiroki Tsuchiura; Akimasa Sakuma

doi:10.1109/TMAG.2008.2001678

Ab-initio study on the magnetic structures in the ordered Mn₃Pt alloy

Yohei Kota, Hiroki Tsuchiura, Akimasa Sakuma

ENG - Applied Physics

Research output: Contribution to journal › Article › peer-review

8 Citations (Scopus)

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].

Original language	English
Pages (from-to)	3131-3133
Number of pages	3
Journal	IEEE Transactions on Magnetics
Volume	44
Issue number	11 PART 2
DOIs	https://doi.org/10.1109/TMAG.2008.2001678
Publication status	Published - 2008 Nov

Keywords

Antiferromagnetic materials
Manganese alloys
Nonlinear magnetics

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Electrical and Electronic Engineering

Access to Document

10.1109/TMAG.2008.2001678

Cite this

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title = "Ab-initio study on the magnetic structures in the ordered Mn3Pt alloy",

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].",

keywords = "Antiferromagnetic materials, Manganese alloys, Nonlinear magnetics",

author = "Yohei Kota and Hiroki Tsuchiura and Akimasa Sakuma",

note = "Funding Information: This work was supported by Grant-in-Aids from the Ministry of Education, Culture, Sports, Science and Technology of Japan. Numerical computation in this work was partially carried out using supercomputing resources at the Information Synergy Center, Tohoku University and the Yukawa Institute Computer Facility.",

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AU - Kota, Yohei

AU - Tsuchiura, Hiroki

AU - Sakuma, Akimasa

N1 - Funding Information: This work was supported by Grant-in-Aids from the Ministry of Education, Culture, Sports, Science and Technology of Japan. Numerical computation in this work was partially carried out using supercomputing resources at the Information Synergy Center, Tohoku University and the Yukawa Institute Computer Facility.

PY - 2008/11

Y1 - 2008/11

N2 - 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].

AB - 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].

KW - Antiferromagnetic materials

KW - Manganese alloys

KW - Nonlinear magnetics

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