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GGA + U Study of the Optical Properties of LiH

DOI: 10.4236/oalib.1107376, PP. 1-5

Subject Areas: Applied Physics, Modern Physics, Particle Physics

Keywords: Dielectric Function, Optical Properties, GGA U and GGA Approximations

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Abstract

In this paper, the optical properties of Lithium hydride (LiH), in rocksalt structure, with space group, Fm3m, in cubic (FCC) system, have been discussed. The theoretical background of the relation between the dielectric function, and, other optical constants has been examined. The real and imaginary parts of the dielectric function have also been scrutinized. The consequences of the exchange correlation potentials (GGA and GGA U) applied to the absorption peaks and edges of the compound have also been spoken of. It was observed, at the application of GGA U and GGA to the first absorption edge matched together; but there was overt difference in fine structure at higher energies due to the presence of the former exchange correlation approximation.

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Ofe, U. , Amana, A. L. and Akonjom, N. A. (2021). GGA + U Study of the Optical Properties of LiH. Open Access Library Journal, 8, e7376. doi: http://dx.doi.org/10.4236/oalib.1107376.

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