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Please use this identifier to cite or link to this item: http://hdl.handle.net/10119/12325

Title: Competing magnetism in π-electrons in graphene with a single carbon vacancy
Authors: Lee, Chi-Cheng
Yamada-Takamura, Yukiko
Ozaki, Taisuke
Keywords: graphene
Kondo effect
DFT
magnetism
Issue Date: 2014-7-01
Publisher: American Physical Society
Magazine name: Physical Review B
Volume: 90
Number: 1
Start page: 014401-1
End page: 014401-5
DOI: 10.1103/PhysRevB.90.014401
Abstract: One intriguing finding in graphene is the vacancy-induced magnetism that highlights the interesting interaction between local magnetic moments and conduction electrons. Within density functional theory, the current understanding of the ground state is that a Stoner instability gives rise to ferromagnetism of π-electrons aligned with the localized moment of a σ dangling bond and the induced π magnetic moments vanish at low vacancy concentrations. However, the observed Kondo effect suggests that π-electrons around the vacancy should antiferromagnetically couple to the local moment and should carry nonvanishing moments. Here we propose that a phase possessing both significant out-of-plane displacements and π bands with antiferromagnetic coupling to the localized σ moment is the ground state. With the features we provide, it is possible for spin-resolved scanning tunneling microscopy, scanning tunneling spectroscopy, and angle-resolved photoelectron spectroscopy measurements to verify the proposed phase.
Rights: Chi-Cheng Lee, Yukiko Yamada-Takamura, and Taisuke Ozaki, Physical Review B, 90(1), 2014, 014401-1-014401-5. Copyright 2014 by the American Physical Society. http://dx.doi.org/10.1103/PhysRevB.90.014401
URI: http://hdl.handle.net/10119/12325
Material Type: publisher
Appears in Collections:c10-1. 雑誌掲載論文 (Journal Articles)

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