Optical properties of partially hydrogenated graphene using first-principle calculations

R. Santosh; V. Kumar; Yadvendra Singh

doi:10.1117/12.2509495

27 February 2019 Optical properties of partially hydrogenated graphene using first-principle calculations

R. Santosh, V. Kumar, Yadvendra Singh

Proceedings Volume 10914, Optical Components and Materials XVI; 109141U (2019) https://doi.org/10.1117/12.2509495
Event: SPIE OPTO, 2019, San Francisco, California, United States

Abstract

The optical properties of hydrogenated graphene have been studied at different occupancies of hydrogen atoms using first-principle density functional theory (DFT) calculations. The optical parameters such as dielectric function ε(ω), refractive index n(ω), absorption spectrum α(ω) and electron energy loss function L(ω) have been studied at 25%, 50%, 75% and 100% occupancies of hydrogen on pristine graphene for the first time. The calculated values for 100% occupancy agree well with the values reported in our earlier publication. However, for other occupancies await for the experimental verification. The present study gives the information about the variation of above parameters at different occupancies, which is of great importance for selecting the materials for substrate in IC design and designing the various linear and nonlinear optoelectronic devices.

Citation Download Citation

R. Santosh, V. Kumar, and Yadvendra Singh "Optical properties of partially hydrogenated graphene using first-principle calculations", Proc. SPIE 10914, Optical Components and Materials XVI, 109141U (27 February 2019); https://doi.org/10.1117/12.2509495

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