Magnetism of transition-metal/carbon-nanotube hybrid structures

Chih Kai Yang; Jijun Zhao; Jian Ping Lu

doi:10.1103/PhysRevLett.90.257203

Magnetism of transition-metal/carbon-nanotube hybrid structures

Chih Kai Yang^*, Jijun Zhao, Jian Ping Lu

^*Corresponding author for this work

Center for General Education

University of North Carolina at Chapel Hill

Research output: Contribution to journal › Journal Article › peer-review

208 Scopus citations

Abstract

A discussion about magnetism of transition-metal/carbon nanotube hybrid structures was presented. Ab initio geometry optimization and spin-polarized electronic structure calculations were performed using ultrasoft pseudopotentials with a plane-wave basis. The calculations showed that such transition-metal/nanotube hybrid structures exhibit substantial magnetism.

Original language	English
Article number	257203
Pages (from-to)	2572031-2572034
Number of pages	4
Journal	Physical Review Letters
Volume	90
Issue number	25 I
DOIs	https://doi.org/10.1103/PhysRevLett.90.257203
State	Published - 27 06 2003

Keywords

LIQUID
METAL
MOLECULAR-DYNAMICS
SPIN
TOTAL-ENERGY CALCULATIONS
TRANSPORT
WALLED CARBON NANOTUBES
WAVE BASIS-SET

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10.1103/PhysRevLett.90.257203

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abstract = "A discussion about magnetism of transition-metal/carbon nanotube hybrid structures was presented. Ab initio geometry optimization and spin-polarized electronic structure calculations were performed using ultrasoft pseudopotentials with a plane-wave basis. The calculations showed that such transition-metal/nanotube hybrid structures exhibit substantial magnetism.",

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year = "2003",

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doi = "10.1103/PhysRevLett.90.257203",

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AU - Lu, Jian Ping

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AB - A discussion about magnetism of transition-metal/carbon nanotube hybrid structures was presented. Ab initio geometry optimization and spin-polarized electronic structure calculations were performed using ultrasoft pseudopotentials with a plane-wave basis. The calculations showed that such transition-metal/nanotube hybrid structures exhibit substantial magnetism.

KW - LIQUID

KW - METAL

KW - MOLECULAR-DYNAMICS

KW - SPIN

KW - TOTAL-ENERGY CALCULATIONS

KW - TRANSPORT

KW - WALLED CARBON NANOTUBES

KW - WAVE BASIS-SET

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M3 - 文章

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SP - 2572031

EP - 2572034

JO - Physical Review Letters

JF - Physical Review Letters

IS - 25 I

M1 - 257203

ER -

Magnetism of transition-metal/carbon-nanotube hybrid structures

Abstract

Keywords

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