TY - JOUR
T1 - Generalized scaling law for exciton binding energy in two-dimensional materials
AU - Ahmad, S.
AU - Zubair, M.
AU - Jalil, O.
AU - Mehmood, M. Q.
AU - Younis, U.
AU - Younis, U.
AU - Liu, X.
AU - Ang, K. W.
AU - Ang, L. K.
N1 - Generated from Scopus record by KAUST IRTS on 2023-09-20
PY - 2020/6/1
Y1 - 2020/6/1
N2 - Binding energy calculation in two-dimensional (2D) materials is crucial in determining their electronic and optical properties pertaining to enhanced Coulomb interactions between charge carriers due to quantum confinement and reduced dielectric screening. Based on full solutions of the Schrödinger equation in a screened hydrogen model with a modified Coulomb potential (1/rβ-2), we present a generalized and analytical scaling law for the exciton binding energy, Eβ=E0(aβb+c)(μ/ µ2), where β is a fractional-dimension parameter that accounts for the reduced dielectric screening. The model is able to provide accurate binding energies, benchmarked using the reported Bethe-Salpeter equation and experimental data, for 58 monolayer 2D and eight bulk materials, respectively, through β. For a given material, β is varied from β=3 for bulk three-dimensional materials to a value lying in the range 2.55-2.7 for 2D monolayer materials. With βmean=2.625, our model improves the average relative mean square error by a factor of 3 in comparison to existing models. The results can be used for Coulomb engineering of exciton binding energies in the optimal design of 2D materials.
AB - Binding energy calculation in two-dimensional (2D) materials is crucial in determining their electronic and optical properties pertaining to enhanced Coulomb interactions between charge carriers due to quantum confinement and reduced dielectric screening. Based on full solutions of the Schrödinger equation in a screened hydrogen model with a modified Coulomb potential (1/rβ-2), we present a generalized and analytical scaling law for the exciton binding energy, Eβ=E0(aβb+c)(μ/ µ2), where β is a fractional-dimension parameter that accounts for the reduced dielectric screening. The model is able to provide accurate binding energies, benchmarked using the reported Bethe-Salpeter equation and experimental data, for 58 monolayer 2D and eight bulk materials, respectively, through β. For a given material, β is varied from β=3 for bulk three-dimensional materials to a value lying in the range 2.55-2.7 for 2D monolayer materials. With βmean=2.625, our model improves the average relative mean square error by a factor of 3 in comparison to existing models. The results can be used for Coulomb engineering of exciton binding energies in the optimal design of 2D materials.
UR - https://link.aps.org/doi/10.1103/PhysRevApplied.13.064062
UR - http://www.scopus.com/inward/record.url?scp=85087591564&partnerID=8YFLogxK
U2 - 10.1103/PhysRevApplied.13.064062
DO - 10.1103/PhysRevApplied.13.064062
M3 - Article
SN - 2331-7019
VL - 13
JO - Physical Review Applied
JF - Physical Review Applied
IS - 6
ER -