Exciton-Peierls mechanism and universal many-body gaps in carbon nanotubes

Autor: Jacopo Baima, Maria Hellgren, Anissa Acheche
Přispěvatelé: Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Institut de recherche pour le développement [IRD] : UR206-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Institut des Nanosciences de Paris (INSP), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
Rok vydání: 2018
Předmět:
Phonon
Exciton
FOS: Physical sciences
02 engineering and technology
Carbon nanotube
01 natural sciences
law.invention
Condensed Matter - Strongly Correlated Electrons
Condensed Matter::Materials Science
law
Lattice (order)
0103 physical sciences
Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
010306 general physics
Physics
Condensed Matter - Mesoscale and Nanoscale Physics
Condensed matter physics
Strongly Correlated Electrons (cond-mat.str-el)
Graphene
021001 nanoscience & nanotechnology
Zigzag
[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]
Quasiparticle
Density functional theory
Condensed Matter::Strongly Correlated Electrons
[PHYS.COND.CM-SCE]Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el]
0210 nano-technology
Zdroj: Physical Review B: Condensed Matter and Materials Physics (1998-2015)
Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2018, 98 (20), pp.201103. ⟨10.1103/PhysRevB.98.201103⟩
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 98 (20), pp.201103. ⟨10.1103/PhysRevB.98.201103⟩
ISSN: 1098-0121
1550-235X
DOI: 10.48550/arxiv.1807.05589
Popis: "Metallic" carbon nanotubes exhibit quasiparticle gaps when isolated from a screening environment. The gap-opening mechanism is expected to be of electronic origin, but the precise nature is debated. In this work, we show that hybrid density functional theory predicts a set of excitonic instabilities capable of opening gaps of the size found in experiment. The excitonic instabilities are coupled to vibrational modes and, in particular, the modes associated with the ${\bf \Gamma}-E_{2g}$ and ${\bf K}-A'_1$ Kohn anomalies of graphene, inducing Peierls lattice distortions with a strong electron-phonon coupling. In the larger tubes, the longitudinal optical phonon mode becomes a purely electronic dimerization that is fully symmetry conserving in the zigzag and chiral tubes, but breaks the symmetry in the armchair tubes. The resulting gaps are universal (i.e., independent of chirality) and scale as 1/R with tube radius.
Comment: 5 pages, 4 figures + Supplemental material
Databáze: OpenAIRE