Open AccessAb inition studies on the electric and optical properties of Rb2TeW3O12
Author(s) -
Yong Zhang,
C. Q. Tang,
Dai Jun
Publication year - 2005
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.54.868
Subject(s) - materials science
By using the plane_wave ultrasoft pseudopotential method, the geometric parameters, electric and optical properties of Rb2TeW3O12 are investigated. The equilibrium lattice constants are in good agreement with experimental data. The electric structures reveal that Rb2TeW3O12 is a direct wide_band semiconductor and the band gap is 223eV; W 5d and O 2p states form a strong W— O covalent bond. Optical properties have been studied and we have presented the dielectronic functions ε1 and ε2. Static dielectric constant ε 0=529 have been gained.