Theoretical investigation of interface atomic structure of graphene on NiFe alloy substrate

Fuente: arXiv
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Main Authors: Matsumoto, Naohiro, Endo, Ryusuke, Uemoto, Mitsuharu, Ono, Tomoya
Format: Preprint
Published: 2025
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_version_ 1866915350470197248
author Matsumoto, Naohiro
Endo, Ryusuke
Uemoto, Mitsuharu
Ono, Tomoya
author_facet Matsumoto, Naohiro
Endo, Ryusuke
Uemoto, Mitsuharu
Ono, Tomoya
contents Two processes have been proposed to fabricate graphene/NiFe alloy interfaces for tunneling magnetoresistance devices. One is the transfer of graphene and the other is the evaporation of alloys onto graphene. The formation energy of a NiFe alloy substrate and the adsorption energy of graphene on the NiFe alloy substrate are investigated by a density functional theory calculations to reveal the difference in the atomic structure of the interface between the two processes. It is found that Ni-rich surfaces are preferable for the bare substrate, whereas Fe surfaces are stable for the graphene adsorbed on the substrate. This result indicates that the composition ratio of the surface layer depends on the interface fabrication process.
format Preprint
id arxiv_https___arxiv_org_abs_2505_14026
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Theoretical investigation of interface atomic structure of graphene on NiFe alloy substrate
Matsumoto, Naohiro
Endo, Ryusuke
Uemoto, Mitsuharu
Ono, Tomoya
Materials Science
Mesoscale and Nanoscale Physics
Computational Physics
Two processes have been proposed to fabricate graphene/NiFe alloy interfaces for tunneling magnetoresistance devices. One is the transfer of graphene and the other is the evaporation of alloys onto graphene. The formation energy of a NiFe alloy substrate and the adsorption energy of graphene on the NiFe alloy substrate are investigated by a density functional theory calculations to reveal the difference in the atomic structure of the interface between the two processes. It is found that Ni-rich surfaces are preferable for the bare substrate, whereas Fe surfaces are stable for the graphene adsorbed on the substrate. This result indicates that the composition ratio of the surface layer depends on the interface fabrication process.
title Theoretical investigation of interface atomic structure of graphene on NiFe alloy substrate
topic Materials Science
Mesoscale and Nanoscale Physics
Computational Physics
url https://arxiv.org/abs/2505.14026