Origin of the metal-insulator transition of indium atom wires on Si(111)
- Authors
- Kim, Sun-Woo; Cho, Jun-Hyung
- Issue Date
- Jun-2016
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW B, v.93, pp.1 - 5
- Indexed
- SCIE
SCOPUS
- Journal Title
- PHYSICAL REVIEW B
- Volume
- 93
- Start Page
- 1
- End Page
- 5
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/154539
- DOI
- 10.1103/PhysRevB.93.241408
- ISSN
- 2469-9950
- Abstract
- As a prototypical one-dimensional electron system, self-assembled indium (In) nanowires on the Si(111) surface have been believed to drive a metal-insulator transition by a charge-density-wave (CDW) formation due to Fermi surface nesting. Here, our first-principles calculations demonstrate that the structural phase transition from the high-temperature 4x1 phase to the low-temperature 8x2 phase occurs through an exothermic reaction with the consecutive bond-breaking and bond-making processes, giving rise to an energy barrier between the two phases as well as a gap opening. This atomistic picture for the phase transition not only identifies its first-order nature but also solves a long-standing puzzle of the origin of the metal-insulator transition in terms of the x2 periodic lattice reconstruction of In hexagons via bond breakage and new bond formation, not by the Peierls-instability-driven CDW formation.
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