In:
Japanese Journal of Applied Physics, IOP Publishing, Vol. 60, No. 6 ( 2021-06-01), p. 060905-
Abstract:
A semi-analytical approach for the difference method using numerically calculated G 0 W 0 band gaps and analytically calculated exciton binding energies based on the fractional Coulomb potential model is proposed to calculate optical gaps of 46 2D materials ranging from ultra-violet to infrared region. The suggested methodology is compared with difference methods of a similar hybrid approach, utilizing conventional exciton models based on Wannier–Mott theory to achieve a significant reduction in the average relative mean square error of optical gaps, up to one-third, benchmarked with a fully numerical approach, employing G 0 W 0 band gaps and the state-of-the-art Bethe–Salpeter equation for binding energy calculation.
Type of Medium:
Online Resource
ISSN:
0021-4922
,
1347-4065
DOI:
10.35848/1347-4065/ac016e
Language:
Unknown
Publisher:
IOP Publishing
Publication Date:
2021
detail.hit.zdb_id:
218223-3
detail.hit.zdb_id:
797294-5
detail.hit.zdb_id:
2006801-3
detail.hit.zdb_id:
797295-7
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