Studying Phase Transition in Nanocarbon Structures

Hussien, Adilah; Yakubovich, Alexander V.; Solov’yov, Andrey V.

doi:10.1063/1.3275679

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2012

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“…It is possible that the similar alternation of the up and down spins has been obtained in the ab initio study [15]. The recent molecular dynamics simulations [16] correspond to this calculation, and stabilities of the molecules and structural transitions have been discussed.…”

Section: Magnetic States In a Part Of C 60mentioning

confidence: 99%

Possible Magnetic States in Buckybowl Molecules

Harigaya¹

2012

Jnl of Comp & Theo Nano

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Possible magnetic properties are studied in the buckybowl molecules: the sumanene and a part of C 60 . The Hubbard model is applied to the systems. We find that the molecular structure determines the magnetism in the sumanene. On the other hand, the edge state is found along the zigzag edge of a part of C 60 . Therefore, the novel property, transition from molecular magnetism to the magnetism like in nanographene, is found.

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Section: Magnetic States In a Part Of C 60mentioning

confidence: 99%

Possible Magnetic States in Buckybowl Molecules

Harigaya¹

2012

Jnl of Comp & Theo Nano

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Studying Phase Transition in Nanocarbon Structures

Cited by 1 publication

References 1 publication

Possible Magnetic States in Buckybowl Molecules

Possible Magnetic States in Buckybowl Molecules

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