Peierls instability and ferrimagnetic ordering of quasi-one-dimensional carbon chains generated in H-passivated graphene

Hyun Jung Kim, Sangchul Oh, Jun Hyung Cho

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Using first-principle density-functional calculations, we investigate the competition between Peierls instability and spin ordering in a zigzag C chain generated in an H-passivated graphene. We find that such a quasi-one-dimensional (1D) C chain of infinite length stabilizes a Peierls instability showing bond alternation with a band-gap opening. As the chain length becomes finite, the Peierls distortion is enhanced at even-numbered chains, while a ferrimagnetic spin ordering with the atomic structure of a topological soliton is stabilized at odd-numbered chains. These results indicate the existence of complex interplay between electron-lattice and electron-electron interactions with respect to the parity of the quasi-1D C chains.

Original languageEnglish
Article number235408
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume83
Issue number23
DOIs
Publication statusPublished - 9 Jun 2011
Externally publishedYes

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Graphite
Graphene
graphene
Carbon
Electron-electron interactions
carbon
Solitons
Chain length
Density functional theory
Energy gap
Electrons
alternations
atomic structure
parity
electron scattering
electrons
solitary waves

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Peierls instability and ferrimagnetic ordering of quasi-one-dimensional carbon chains generated in H-passivated graphene. / Kim, Hyun Jung; Oh, Sangchul; Cho, Jun Hyung.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 83, No. 23, 235408, 09.06.2011.

Research output: Contribution to journalArticle

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