Optical properties of 1T and 2H phases of TaS₂ and TaSe₂

SANGEETA SHARMA, S AULUCK and M A KHAN^*

Department of Physics, University of Roorkee, Roorkee 247 667, India
^*Institut de Physique et Chimie des materiaux Metalliques, 23, rue du loess, F-67037 Strasbourg Cedex, France

Abstract.

We have calculated the anisotropic frequency dependent dielectric function for the 1T and 2H phases of TaS₂ and TaSe₂ using the linear muffin tin orbital method within the atomic sphere approximation. We find significant anisotropy in the frequency dependent dielectric function for the 1T and 2H phases at low energies (less than 4 eV). Unfortunately there are no experimental data to compare with. The averaged dielectric function agrees with the available experimental data except that the calculated peak heights are underestimated and shifted to higher energies by 1-2 eV.

Keywords Optical properties; LMTO-ASA; transition metal dichalcogenides.

Pacs No. 78.20-e; 78.20.Ci

 

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