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[20p-D61-12]First-principles study on the atomic scale structure properties of L10 alloy/2D material hetero-interface

〇Ryusuke Endo1, Mitsuharu Uemoto1, Naoya Matsumoto1, Samuel Vergara2,3, Hikari Shinya4, Hiroshi Naganuma3,5, Tomoya Ono1 (1.Kobe Univ., 2.ENS Paris, 3.Tohoku Univ., 4.Univ. Tokyo, 5.Nagoya Univ.)
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Keywords:

first-principles calculation,2D materials,FePd

L10-ordered FePd alloy is a ferromagnetic metal with high magnetic anisotropy and low magnetic damping constant, attracting attention as a material for spintronics applications. In this study, we predict the detailed atomic-scale structure and composition of FePd and 2D material interfaces using first-principles electronic state calculations. At the FePd/graphene interface, Fe atomic layers appear on the surface, showing different behavior from the Pd surface in a vacuum. Furthermore, this presentation will discuss the interface with transition metal dichalcogenide (TMDC) based 2D materials.

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