Electronic and Optical Properties of Rare Earth Oxides: Ab Initio Calculation

Sezen Horoz; Sevket Simsek; Selami Palaz; Amirullah M. Mamedov

doi:10.4236/wjcmp.2015.52011

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Electronic and Optical Properties of Rare Earth Oxides: Ab Initio Calculation ()

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DOI: 10.4236/wjcmp.2015.52011 3,084 Downloads 3,981 Views Citations

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Sezen Horoz¹, Sevket Simsek², Selami Palaz³, Amirullah M. Mamedov^4,5*

Affiliation(s)

¹Institute of Natural Sciences, Cukurova University, Adana, Turkey.
²Department of Material Science and Engineering, Hakkari University, Hakkari, Turkey.
³Department of Physics, Faculty of Science and Letters, Harran University, Sanliurfa, Turkey.
⁴Nanotechnology Research Center (NANOTAM), Bilkent University, Ankara, Turkey.
⁵International Scientific Center, Baku State University, Baku, Azerbaijan.

ABSTRACT

In this work, we have investigated the electronic and optical properties of the technologically important rare earth oxide compounds—X₂O₃ (X: Gd, Tb) using the density functional theory within the GGA. The band structure of X₂O₃ have been calculated along high symmetry directions in the first brillouin zone. The real and imaginary parts of dilectric functions and the other optical responses such as energy-loss function, the effective number of valence electrons and the effective optical dielectric constants of the rare earth sesquioxides (Gd₂O₃ and Tb₂O₃) were calculated.

KEYWORDS

Rare Earth Oxides, Ab Initio Calculation, Electronic Structure, Optical Properties

Cite this paper

Horoz, S. , Simsek, S. , Palaz, S. and Mamedov, A. (2015) Electronic and Optical Properties of Rare Earth Oxides: Ab Initio Calculation. World Journal of Condensed Matter Physics, 5, 78-85. doi: 10.4236/wjcmp.2015.52011.

Conflicts of Interest

The authors declare no conflicts of interest.

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