Origin of the metal-insulator transition of indium atom wires on Si(111)
- Title
- Origin of the metal-insulator transition of indium atom wires on Si(111)
- Author
- 조준형
- Keywords
- MINIMUM ENERGY PATHS; CHARGE-DENSITY-WAVE; ELASTIC BAND METHOD; QUANTUM CHAINS; SADDLE-POINTS; SURFACE; SILICON; SUPERCONDUCTIVITY; INSTABILITY
- Issue Date
- 2016-06
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW B, v. 93, NO 24, Page. 241408-241408
- 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.
- URI
- https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.241408https://repository.hanyang.ac.kr/handle/20.500.11754/72044
- ISSN
- 2469-9950; 2469-9969
- DOI
- 10.1103/PhysRevB.93.241408
- Appears in Collections:
- COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > PHYSICS(물리학과) > Articles
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