Surface structures and magnetic anisotropies of a Fe/Pt (001) surface: An ab initio study

Eung Kwan Lee; Heechae Choi; Yubin Hwang; Yong Chae Chung

doi:10.1063/1.3565192

Surface structures and magnetic anisotropies of a Fe/Pt (001) surface: An ab initio study

Eung Kwan Lee^*
, Heechae Choi
, Yubin Hwang
, Yong Chae Chung

^*Corresponding author for this work

Hanyang University

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

6 Citations (Scopus)

Abstract

Using ab initio calculations, we obtained the surface phase diagram of a Fe/Pt(001) surface and the magnetic anisotropy energies of the equilibrium Fe/Pt(001) surface structures. From the obtained surface phase diagram, Fe-rich L1₂ B and perpendicular L1₀ B were found to be the most stable Fe-Pt surface phases. The calculated magnetic anisotropy energies of the Fe-rich L1₂ B and perpendicular L1₀ B Fe/Pt(001) structures revealed that the magnetic easy axes of the surface structures prefer to align in the [001] direction. Through systematic calculations, we showed that the magnetic anisotropy reduction in Fe/Pt(001) originates from the changed electron filling in the 3d_z2 orbital of Fe atoms due to the surface formation.

Original language	English
Article number	07B764
Journal	Journal of Applied Physics
Volume	109
Issue number	7
DOIs	https://doi.org/10.1063/1.3565192
Publication status	Published - 1 Apr 2011
Externally published	Yes

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10.1063/1.3565192

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title = "Surface structures and magnetic anisotropies of a Fe/Pt (001) surface: An ab initio study",

abstract = "Using ab initio calculations, we obtained the surface phase diagram of a Fe/Pt(001) surface and the magnetic anisotropy energies of the equilibrium Fe/Pt(001) surface structures. From the obtained surface phase diagram, Fe-rich L12 B and perpendicular L10 B were found to be the most stable Fe-Pt surface phases. The calculated magnetic anisotropy energies of the Fe-rich L12 B and perpendicular L10 B Fe/Pt(001) structures revealed that the magnetic easy axes of the surface structures prefer to align in the [001] direction. Through systematic calculations, we showed that the magnetic anisotropy reduction in Fe/Pt(001) originates from the changed electron filling in the 3dz2 orbital of Fe atoms due to the surface formation.",

author = "Lee, \{Eung Kwan\} and Heechae Choi and Yubin Hwang and Chung, \{Yong Chae\}",

note = "Funding Information: This research was supported by Basic Science Research Program through the National Research Foundation (NRF) of Korea funded by the Ministry of Education, Science and Technology (Grant No. 2010-0023761).",

year = "2011",

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doi = "10.1063/1.3565192",

language = "English",

volume = "109",

journal = "Journal of Applied Physics",

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TY - JOUR

T1 - Surface structures and magnetic anisotropies of a Fe/Pt (001) surface

T2 - An ab initio study

AU - Lee, Eung Kwan

AU - Choi, Heechae

AU - Hwang, Yubin

AU - Chung, Yong Chae

N1 - Funding Information: This research was supported by Basic Science Research Program through the National Research Foundation (NRF) of Korea funded by the Ministry of Education, Science and Technology (Grant No. 2010-0023761).

PY - 2011/4/1

Y1 - 2011/4/1

N2 - Using ab initio calculations, we obtained the surface phase diagram of a Fe/Pt(001) surface and the magnetic anisotropy energies of the equilibrium Fe/Pt(001) surface structures. From the obtained surface phase diagram, Fe-rich L12 B and perpendicular L10 B were found to be the most stable Fe-Pt surface phases. The calculated magnetic anisotropy energies of the Fe-rich L12 B and perpendicular L10 B Fe/Pt(001) structures revealed that the magnetic easy axes of the surface structures prefer to align in the [001] direction. Through systematic calculations, we showed that the magnetic anisotropy reduction in Fe/Pt(001) originates from the changed electron filling in the 3dz2 orbital of Fe atoms due to the surface formation.

AB - Using ab initio calculations, we obtained the surface phase diagram of a Fe/Pt(001) surface and the magnetic anisotropy energies of the equilibrium Fe/Pt(001) surface structures. From the obtained surface phase diagram, Fe-rich L12 B and perpendicular L10 B were found to be the most stable Fe-Pt surface phases. The calculated magnetic anisotropy energies of the Fe-rich L12 B and perpendicular L10 B Fe/Pt(001) structures revealed that the magnetic easy axes of the surface structures prefer to align in the [001] direction. Through systematic calculations, we showed that the magnetic anisotropy reduction in Fe/Pt(001) originates from the changed electron filling in the 3dz2 orbital of Fe atoms due to the surface formation.

UR - https://www.scopus.com/pages/publications/79955426795

U2 - 10.1063/1.3565192

DO - 10.1063/1.3565192

M3 - Article

AN - SCOPUS:79955426795

SN - 0021-8979

VL - 109

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 7

M1 - 07B764

ER -

Surface structures and magnetic anisotropies of a Fe/Pt (001) surface: An ab initio study

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