Driving Force of Phase Transition in Indium Nanowires on Si(111)open access
- Authors
- Kim, Hyun-Jung; Cho, Jun-Hyung
- Issue Date
- Mar-2013
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW LETTERS, v.110, no.11, pp.1 - 5
- Indexed
- SCIE
SCOPUS
- Journal Title
- PHYSICAL REVIEW LETTERS
- Volume
- 110
- Number
- 11
- Start Page
- 1
- End Page
- 5
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/143757
- DOI
- 10.1103/PhysRevLett.110.116801
- ISSN
- 0031-9007
- Abstract
- The precise driving force of the phase transition in indium nanowires on Si(111) has been controversial whether it is driven by a Peierls instability or by a simple energy lowering due to a periodic lattice distortion. The present van der Waals (vdW) corrected hybrid density functional calculation predicts that the low-temperature 8 x 2 structure whose building blocks are indium hexagons is energetically favored over the room-temperature 4 x 1 structure. We show that the correction of self-interaction error and the inclusion of vdW interactions play crucial roles in describing the covalent bonding, band-gap opening, and energetics of hexagon structures. The results manifest that the formation of hexagons occurs by a simple energy lowering due to the lattice distortion, not by a charge density wave formation arising from Fermi surface nesting.
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