Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach
Abstract
The most striking features of novel two-dimensional semiconductors (e.g., transition metal dichalcogenide monolayers or phosphorene) is a strong Coulomb interaction between charge carriers resulting in large excitonic effects. In particular, this leads to the formation of multicarrier bound states upon photoexcitation (e.g., excitons, trions, and biexcitons), which could remain stable at near-room temperatures and contribute significantly to the optical properties of such materials. In our work we have used the path integral Monte Carlo methodology to numerically study properties of multicarrier bound states in two-dimensional semiconductors. Specifically, we have accurately investigated and tabulated the dependence of single-exciton, trion, and biexciton binding energies on the strength of dielectric screening, including the limiting cases of very strong and very weak screening. Our results of this work are potentially useful in the analysis of experimental data and benchmarking of theoretical and computational models.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Advanced Solar Photophysics (CASP)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1240611
- Alternate Identifier(s):
- OSTI ID: 1225760
- Report Number(s):
- LA-UR-15-23355
Journal ID: ISSN 1098-0121; PRBMDO
- Grant/Contract Number:
- AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Volume: 92; Journal Issue: 19; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; Material Science; 2D semiconductor, exciton, trion, biexciton, quantum monte carlo
Citation Formats
Velizhanin, Kirill A., and Saxena, Avadh. Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach. United States: N. p., 2015.
Web. doi:10.1103/PhysRevB.92.195305.
Velizhanin, Kirill A., & Saxena, Avadh. Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach. United States. https://doi.org/10.1103/PhysRevB.92.195305
Velizhanin, Kirill A., and Saxena, Avadh. Wed .
"Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach". United States. https://doi.org/10.1103/PhysRevB.92.195305. https://www.osti.gov/servlets/purl/1240611.
@article{osti_1240611,
title = {Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach},
author = {Velizhanin, Kirill A. and Saxena, Avadh},
abstractNote = {The most striking features of novel two-dimensional semiconductors (e.g., transition metal dichalcogenide monolayers or phosphorene) is a strong Coulomb interaction between charge carriers resulting in large excitonic effects. In particular, this leads to the formation of multicarrier bound states upon photoexcitation (e.g., excitons, trions, and biexcitons), which could remain stable at near-room temperatures and contribute significantly to the optical properties of such materials. In our work we have used the path integral Monte Carlo methodology to numerically study properties of multicarrier bound states in two-dimensional semiconductors. Specifically, we have accurately investigated and tabulated the dependence of single-exciton, trion, and biexciton binding energies on the strength of dielectric screening, including the limiting cases of very strong and very weak screening. Our results of this work are potentially useful in the analysis of experimental data and benchmarking of theoretical and computational models.},
doi = {10.1103/PhysRevB.92.195305},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 19,
volume = 92,
place = {United States},
year = {Wed Nov 11 00:00:00 EST 2015},
month = {Wed Nov 11 00:00:00 EST 2015}
}
Web of Science
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