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Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment

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Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment. / Kylänpää, Ilkka; Komsa, Hannu-Pekka.

julkaisussa: Physical Review B, Vuosikerta 92, Nro 20, 205418, 16.11.2015.

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@article{1501de25d2ba4758bbc32b7bad2ae561,
title = "Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment",
abstract = "Excitons, trions, biexcitons, and exciton-trion complexes in two-dimensional transition metal dichalcogenide sheets of MoS2, MoSe2, MoTe2, WS2, and WSe2 are studied by means of density functional theory and pathintegral Monte Carlo method in order to accurately account for the particle-particle correlations. In addition, the effect of dielectric environment on the properties of these exciton complexes is studied by modifying the effective interaction potential between particles. Calculated exciton and trion binding energies are consistent with previous experimental and computational studies, and larger systems such as biexciton and exciton-trion complex are found highly stable. Binding energies of biexcitons are similar to or higher than those of trions, but the binding energy of the trion depends significantly stronger on the dielectric environment than that of biexciton. Therefore, as a function of an increasing dielectric constant of the environment the exciton-trion complex {"}dissociates{"} to a biexciton rather than to an exciton and a trion.",
keywords = "SINGLE-LAYER MOS2, SEMICONDUCTOR, TRIONS, STATES, WSE2, BIEXCITONS, WS2",
author = "Ilkka Kyl{\"a}np{\"a}{\"a} and Hannu-Pekka Komsa",
note = "EXT={"}Komsa, Hannu-Pekka{"}",
year = "2015",
month = "11",
day = "16",
doi = "10.1103/PhysRevB.92.205418",
language = "English",
volume = "92",
journal = "Physical Review B",
issn = "1098-0121",
publisher = "AMER PHYSICAL SOC",
number = "20",

}

RIS (suitable for import to EndNote) - Lataa

TY - JOUR

T1 - Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment

AU - Kylänpää, Ilkka

AU - Komsa, Hannu-Pekka

N1 - EXT="Komsa, Hannu-Pekka"

PY - 2015/11/16

Y1 - 2015/11/16

N2 - Excitons, trions, biexcitons, and exciton-trion complexes in two-dimensional transition metal dichalcogenide sheets of MoS2, MoSe2, MoTe2, WS2, and WSe2 are studied by means of density functional theory and pathintegral Monte Carlo method in order to accurately account for the particle-particle correlations. In addition, the effect of dielectric environment on the properties of these exciton complexes is studied by modifying the effective interaction potential between particles. Calculated exciton and trion binding energies are consistent with previous experimental and computational studies, and larger systems such as biexciton and exciton-trion complex are found highly stable. Binding energies of biexcitons are similar to or higher than those of trions, but the binding energy of the trion depends significantly stronger on the dielectric environment than that of biexciton. Therefore, as a function of an increasing dielectric constant of the environment the exciton-trion complex "dissociates" to a biexciton rather than to an exciton and a trion.

AB - Excitons, trions, biexcitons, and exciton-trion complexes in two-dimensional transition metal dichalcogenide sheets of MoS2, MoSe2, MoTe2, WS2, and WSe2 are studied by means of density functional theory and pathintegral Monte Carlo method in order to accurately account for the particle-particle correlations. In addition, the effect of dielectric environment on the properties of these exciton complexes is studied by modifying the effective interaction potential between particles. Calculated exciton and trion binding energies are consistent with previous experimental and computational studies, and larger systems such as biexciton and exciton-trion complex are found highly stable. Binding energies of biexcitons are similar to or higher than those of trions, but the binding energy of the trion depends significantly stronger on the dielectric environment than that of biexciton. Therefore, as a function of an increasing dielectric constant of the environment the exciton-trion complex "dissociates" to a biexciton rather than to an exciton and a trion.

KW - SINGLE-LAYER MOS2

KW - SEMICONDUCTOR

KW - TRIONS

KW - STATES

KW - WSE2

KW - BIEXCITONS

KW - WS2

U2 - 10.1103/PhysRevB.92.205418

DO - 10.1103/PhysRevB.92.205418

M3 - Article

VL - 92

JO - Physical Review B

JF - Physical Review B

SN - 1098-0121

IS - 20

M1 - 205418

ER -