Driving Force of Phase Transition in Indium Nanowires on Si(111)

Hyun-Jung Kim and Jun-Hyung Cho
Phys. Rev. Lett. 110, 116801 – Published 13 March 2013
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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 8×2 structure whose building blocks are indium hexagons is energetically favored over the room-temperature 4×1 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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  • Received 16 December 2012

DOI:https://doi.org/10.1103/PhysRevLett.110.116801

© 2013 American Physical Society

Authors & Affiliations

Hyun-Jung Kim and Jun-Hyung Cho*

  • Department of Physics and Research Institute for Natural Sciences, Hanyang University, 17 Haengdang-Dong, Seongdong-Ku, Seoul 133-791, Korea

  • *Corresponding author. chojh@hanyang.ac.kr

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Vol. 110, Iss. 11 — 15 March 2013

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Heating up of Superconductors
January 27, 2017

This collection marks the 30th anniversary of the discovery of high-temperature superconductors. The papers selected highlight some of the advances that have been made to date, both in understanding why these compounds behave in the way they do, and in utilizing them in applications. The papers included in the collection have been made free to read.

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