Quantum Paraelastic Two-Dimensional Materials
Abstract
We study the elastic energy landscape of two-dimensional tin oxide (SnO) monolayers and demonstrate a transition temperature of Tc=8.5±1.8K using ab initio molecular dynamics (MD) that is close to the value of the elastic energy barrier J derived from T=0K 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.
- Authors:
-
- Univ. of Arkansas, Fayetteville, AR (United States). Dept. of Physics
- Univ. Técnica Federico Santa María, Valparaíso (Chile). Dept. de Ingeniería Mecánic
- Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials
- Univ. of Arkansas, Fayetteville, AR (United States). Dept. of Physics; Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- National Science Foundation (NSF); USDOE Office of Science (SC)
- OSTI Identifier:
- 1491073
- Alternate Identifier(s):
- OSTI ID: 1490136
- Grant/Contract Number:
- AC02-06CH11357; AC02-05CH11231; SC0016139; DMR-1610126
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 122; Journal Issue: 1; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; quantum materials
Citation Formats
Bishop, Tyler B., Farmer, Erin E., Sharmin, Afsana, Pacheco-Sanjuan, Alejandro, Darancet, Pierre, and Barraza-Lopez, Salvador. Quantum Paraelastic Two-Dimensional Materials. United States: N. p., 2019.
Web. doi:10.1103/PhysRevLett.122.015703.
Bishop, Tyler B., Farmer, Erin E., Sharmin, Afsana, Pacheco-Sanjuan, Alejandro, Darancet, Pierre, & Barraza-Lopez, Salvador. Quantum Paraelastic Two-Dimensional Materials. United States. https://doi.org/10.1103/PhysRevLett.122.015703
Bishop, Tyler B., Farmer, Erin E., Sharmin, Afsana, Pacheco-Sanjuan, Alejandro, Darancet, Pierre, and Barraza-Lopez, Salvador. Wed .
"Quantum Paraelastic Two-Dimensional Materials". United States. https://doi.org/10.1103/PhysRevLett.122.015703. https://www.osti.gov/servlets/purl/1491073.
@article{osti_1491073,
title = {Quantum Paraelastic Two-Dimensional Materials},
author = {Bishop, Tyler B. and Farmer, Erin E. and Sharmin, Afsana and Pacheco-Sanjuan, Alejandro and Darancet, Pierre and Barraza-Lopez, Salvador},
abstractNote = {We study the elastic energy landscape of two-dimensional tin oxide (SnO) monolayers and demonstrate a transition temperature of Tc=8.5±1.8K using ab initio molecular dynamics (MD) that is close to the value of the elastic energy barrier J derived from T=0K 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.},
doi = {10.1103/PhysRevLett.122.015703},
journal = {Physical Review Letters},
number = 1,
volume = 122,
place = {United States},
year = {Wed Jan 09 00:00:00 EST 2019},
month = {Wed Jan 09 00:00:00 EST 2019}
}
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Works referencing / citing this record:
Toward Quantum Paraelectric, Paraelastic, and Paramagnetic 2D Materials
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