TY - JOUR
T1 - Ab initio calculations and ellipsometry measurements of the optical properties of the layered semiconductor In4 Se3
AU - Makinistian, L.
AU - Albanesi, E. A.
AU - Gonzalez Lemus, N. V.
AU - Petukhov, A. G.
AU - Schmidt, D.
AU - Schubert, E.
AU - Schubert, M.
AU - Losovyj, Ya B.
AU - Galiy, P.
AU - Dowben, P.
PY - 2010/2/26
Y1 - 2010/2/26
N2 - In this work, we present a thorough study of the optical properties of the layered orthorhombic compound In4 Se3. The dielectric function-real and imaginary parts, the complex refraction index, the reflectivity, the absorption coefficient, and the conductivity of In4 Se3 were calculated with the inclusion of the spin-orbit interaction, using an ab initio FP-LAPW method based on DFT. Also, generalized ellipsometry was employed for more precise measurement of the anisotropic dielectric functions for polarization along crystal a, b, and c axes of orthorhombic absorbing In4 Se3 single crystals cut approximately parallel to (100) at photon energies from 0.76 to 3.1 eV. Our experimental results show a good agreement with our calculations. We discuss the location and nature of the main optical peaks appearing in the spectra. The obtained optical functions display a rather anisotropic behavior, mainly in the infrared-visible region. Our results seem to be predictive to a high extension, given the scarce experimental information about its optical properties.
AB - In this work, we present a thorough study of the optical properties of the layered orthorhombic compound In4 Se3. The dielectric function-real and imaginary parts, the complex refraction index, the reflectivity, the absorption coefficient, and the conductivity of In4 Se3 were calculated with the inclusion of the spin-orbit interaction, using an ab initio FP-LAPW method based on DFT. Also, generalized ellipsometry was employed for more precise measurement of the anisotropic dielectric functions for polarization along crystal a, b, and c axes of orthorhombic absorbing In4 Se3 single crystals cut approximately parallel to (100) at photon energies from 0.76 to 3.1 eV. Our experimental results show a good agreement with our calculations. We discuss the location and nature of the main optical peaks appearing in the spectra. The obtained optical functions display a rather anisotropic behavior, mainly in the infrared-visible region. Our results seem to be predictive to a high extension, given the scarce experimental information about its optical properties.
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U2 - 10.1103/PhysRevB.81.075217
DO - 10.1103/PhysRevB.81.075217
M3 - Article
AN - SCOPUS:77954846399
SN - 1098-0121
VL - 81
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 7
M1 - 075217
ER -