Quantum Paraelastic Two-Dimensional Materials.
Journal
Physical review letters
ISSN: 1079-7114
Titre abrégé: Phys Rev Lett
Pays: United States
ID NLM: 0401141
Informations de publication
Date de publication:
11 Jan 2019
11 Jan 2019
Historique:
received:
29
06
2018
entrez:
24
4
2019
pubmed:
24
4
2019
medline:
24
4
2019
Statut:
ppublish
Résumé
We study the elastic energy landscape of two-dimensional tin oxide (SnO) monolayers and demonstrate a transition temperature of T_{c}=8.5±1.8 K using ab initio molecular dynamics (MD) that is close to the value of the elastic energy barrier J derived from T=0 K density functional theory calculations. The power spectra of the velocity autocorrelation throughout the MD evolution permit identifying soft phonon modes likely responsible for the structural transformation. The mean atomic displacements obtained from a Bose-Einstein occupation of the phonon modes suggest the existence of a quantum paraelastic phase that could be tuned with charge doping: SnO monolayers could be 2D quantum paraelastic materials with a charge-tunable quantum phase transition.
Identifiants
pubmed: 31012714
doi: 10.1103/PhysRevLett.122.015703
doi:
Types de publication
Journal Article
Langues
eng