First-principles study of the magnetic properties of Ti-coated graphene sheets and carbon nanotubes = Ti이 코팅된 graphene 면과 탄소나노튜브의 자기적 특성에 관한 제일원리 연구

We perform first-principles pseudopotential calculations to investigate the magnetic properties of Ti-coated graphene sheets and carbon nanotubes. We examine the dependence of the magnetic property on pseudopotential and exchange-correlation functional. We find the magnetic properties are similar, although the magnetic moments and stability of ferromagnetic solutions depend on pseudopotential and exchange-correlation functional. For one monolayer coverage of Ti, both graphene sheet and carbon nanotube are found to be ferromagnetic, with the magnetic moments of 1.62 and $1.46 \mu_{\vcy}$ per Ti atom, respectively. On the graphene sheet, however, the magnetic moment decreases very rapidly with increasing of the Ti coverage. Based on the analysis of the localized states near the Fermi level, we discuss the origin of ferromagnetic solution in Ti films and nanowires.
Advisors
Kim, Jong-Jeanresearcher김종진researcher
Publisher
한국과학기술원
Issue Date
2004
Identifier
237782/325007  / 020023150
Language
eng
Description

학위논문(석사) - 한국과학기술원 : 물리학과, 2004.2, [ vi, 50 p. ]

Keywords

First-principles; spintronics; 탄소나노튜브; 제일원리; nanotube; 스핀트로닉스

URI
http://hdl.handle.net/10203/48650
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=237782&flag=t
Appears in Collection
PH-Theses_Master(석사논문)
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