Reference : Excitonic-insulator instability and Peierls distortion in one-dimensional semimetals
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Physics and Materials Science; Computational Sciences
http://hdl.handle.net/10993/50683
Excitonic-insulator instability and Peierls distortion in one-dimensional semimetals
English
Barborini, Matteo mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)]
Calandra, Matteo [> >]
Mauri, Francesco [> >]
Wirtz, Ludger mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)]
Cudazzo, Pier Luigi mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
2022
Physical Review. B
American Physical Society
105
7
075122
Yes (verified by ORBilu)
International
2469-9969
[en] charge density waves ; excitonic insulator ; spontaneous symmetry breaking
[en] The charge density wave instability in one-dimensional semimetals is usually explained through a Peierls-like mechanism, where the coupling of electrons and phonons induces a periodic lattice distortion along certain modes of vibration, leading to a gap opening in the electronic band structure and to a lowering of the symmetry of the lattice. In this work, we study two prototypical Peierls systems: the one-dimensional carbon chain and the monatomic hydrogen chain with accurate ab initio calculations based on quantum Monte Carlo and hybrid density functional theory. We demonstrate that in one-dimensional semimetals at T=0, a purely electronic instability can exist independently of a lattice distortion. It is induced by spontaneous formation of low energy electron-hole pairs resulting in the electronic band gap opening, i.e., the destabilization of the semimetallic phase is due to an excitonic mechanism.
Fonds National de la Recherche - FnR
Researchers ; Students
http://hdl.handle.net/10993/50683
10.1103/PhysRevB.105.075122
FnR ; FNR13376969 > Ludger Wirtz > ACCEPT > Anharmonic And Exchange Interactions In Phonon Spectra > 01/01/2020 > 30/06/2024 > 2018

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