Open AccessFirst principle study on optical properties of KTa0.5Nb0.5O3
Author(s) -
Yuanxu Wang,
Chunlei Wang,
Yuan Min,
Zhao Ming-Lei,
W. L. Zhong
Publication year - 2004
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.53.3141
Subject(s) - tetragonal crystal system , anisotropy , condensed matter physics , materials science , dielectric , attenuation coefficient , absorption (acoustics) , optical spectra , physics , optics , spectral line , phase (matter) , quantum mechanics , optoelectronics
We have calculated the optical properties(the imaginary part of the dielectric f unction ε2(ω),the optical absorption coefficient I(ω),the reflectiv ity R(ω)) of tetragonal and cubic crystals of KTa0.5Nb0.5O3 by the full potential linearized augmented plane wave method (FLAPW).Our calcul ated tetragonal optical spectra show three big peaks around 3,7 and 23 eV along a and b separately.Along c,there are three mainly peaks at 4,8,23 eV respectively,among which the one at 4 eV is sharp and high.Comparing optical pr operties in the tetragonal and cubic phass,we concluded that the tetragonal phas e has more anisotropic optical responses.