Driving Force of Phase Transition in Indium Nanowires on Si(111)
- Title
- Driving Force of Phase Transition in Indium Nanowires on Si(111)
- Author
- 조준형
- Keywords
- METAL-INSULATOR-TRANSITION; QUANTUM CHAINS; ELECTRON; SURFACE; INSTABILITY; MOLECULES; SILICON
- Issue Date
- 2013-03
- Publisher
- Amer Physical SOC
- Citation
- Physical Review Letters, 2013, 110(11), P.116801-116801
- 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 82 structure whose building blocks are indium hexagons is energetically favored over the room-temperature 41 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.
- URI
- https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.110.116801http://hdl.handle.net/20.500.11754/54981
- ISSN
- 0031-9007; 1079-7114
- DOI
- 10.1103/PhysRevLett.110.116801
- Appears in Collections:
- COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > PHYSICS(물리학과) > Articles
- Files in This Item:
- 1303.1001.pdfDownload
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