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Title: Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
 [1];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

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.

Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Advanced Solar Photophysics (CASP)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
AC52-06NA25396
OSTI ID:
1240611
Alternate ID(s):
OSTI ID: 1225760
Report Number(s):
LA-UR-15-23355; PRBMDO
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Vol. 92, Issue 19; ISSN 1098-0121
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 47 works
Citation information provided by
Web of Science

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Cited By (20)

Many-Body Complexes in 2D Semiconductors journal August 2018
Theory and Ab Initio Calculation of Optically Excited States—Recent Advances in 2D Materials journal December 2019
Trion and Biexciton in Monolayer Transition Metal Dichalcogenides journal December 2016
Few-Body Systems in Condensed Matter Physics journal July 2019
Exciton diamagnetic shifts and valley Zeeman effects in monolayer WS2 and MoS2 to 65 Tesla journal February 2016
Room temperature observation of biexcitons in exfoliated WS 2 monolayers journal May 2017
Optical absorption by indirect excitons in a transition metal dichalcogenide/hexagonal boron nitride heterostructure journal May 2018
Dynamical screening in monolayer transition-metal dichalcogenides and its manifestations in the exciton spectrum journal March 2019
Trions in bulk and monolayer materials: Faddeev equations and hyperspherical harmonics journal February 2018
Binding energies and structures of two-dimensional excitonic complexes in transition metal dichalcogenides journal March 2016
Superfluidity of dipolar excitons in a transition metal dichalcogenide double layer journal September 2017
Complexes of dipolar excitons in layered quasi-two-dimensional nanostructures journal April 2018
Coulomb interaction in monolayer transition-metal dichalcogenides journal September 2018
Marrying Excitons and Plasmons in Monolayer Transition-Metal Dichalcogenides journal November 2017
Marrying Excitons and Plasmons in Monolayer Transition-Metal Dichalcogenides text January 2017
Exciton Diamagnetic Shifts and Valley Zeeman Effects in Monolayer WS$_2$ and MoS$_2$ to 65 Tesla text January 2015
Trion and Biexciton in Monolayer Transition Metal Dichalcogenides text January 2017
Complexes of dipolar excitons in layered quasi-two-dimensional nanostructures text January 2017
Dynamical screening in monolayer transition-metal dichalcogenides and its manifestations in the exciton spectrum text January 2018
Few-body systems in condensed matter physics text January 2019

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