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https://hdl.handle.net/10119/12325
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| 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: | https://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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