Reference : Excitonic-insulator instability and Peierls distortion in one-dimensional semimetals

	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	Focus Areas :	Physics and Materials Science; Computational Sciences
	To cite this reference:	http://hdl.handle.net/10993/50683

Title :	Excitonic-insulator instability and Peierls distortion in one-dimensional semimetals
Language :	English
Author, co-author :	Barborini, Matteo [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)]
	Calandra, Matteo [> >]
	Mauri, Francesco [> >]
	Wirtz, Ludger [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)]
	Cudazzo, Pier Luigi [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
Publication date :	2022
Journal title :	Physical Review. B
Publisher :	American Physical Society
Volume :	105
Issue/season :	7
Pages :	075122
Peer reviewed :	Yes (verified by ORBilu)
Audience :	International
ISSN :	2469-9969
Keywords :	[en] charge density waves ; excitonic insulator ; spontaneous symmetry breaking
Abstract :	[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.
Funders :	Fonds National de la Recherche - FnR
Target :	Researchers ; Students
Permalink :	http://hdl.handle.net/10993/50683
DOI :	10.1103/PhysRevB.105.075122
FnR project :	FnR ; FNR13376969 > Ludger Wirtz > ACCEPT > Anharmonic And Exchange Interactions In Phonon Spectra > 01/01/2020 > 30/06/2024 > 2018

	File(s) associated to this reference
	Fulltext file(s): File Commentary Version Size Access Open access PhysRevB.105.075122.pdf Publisher postprint 840.53 kB View/Open

All documents in ORBi^lu are protected by a user license.

 

University of Luxembourg Library |  Feedback |  Legal notices Site Map