Length- and parity-dependent electronic states in one-dimensional carbon atomic chains on C(111)
- Authors
- Kim, Hyun-Jung; Oh, Sangchul; Kim, Ki-Seok; Zhang, Zhenyu; Cho, Jun-Hyung
- Issue Date
- Jul-2010
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW B, v.82, no.4, pp.1 - 4
- Indexed
- SCIE
SCOPUS
- Journal Title
- PHYSICAL REVIEW B
- Volume
- 82
- Number
- 4
- Start Page
- 1
- End Page
- 4
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/174509
- DOI
- 10.1103/PhysRevB.82.041401
- ISSN
- 2469-9950
- Abstract
- Using first-principles density-functional theory calculations, we find dramatically different electronic states in the C chains generated on the H-terminated C(111) surface, depending on their length and parity. The infinitely long chain has pi electrons completely delocalized over the chain, yielding an equal C-C bond length. As the chain length becomes finite, such delocalized pi electrons are transformed into localized ones. As a result, even-numbered chains exhibit a strong charge-lattice coupling, leading to a bond-alternated structure, while odd-numbered chains show a ferrimagnetic spin ordering with a solitonlike structure. These geometric and electronic features of infinitely and finitely long chains are analogous to those of the closed (benzene) and open (polyacetylene) chains of hydrocarbons, respectively.
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