Inorganic Chemistry, Vol.33, No.9, 1864-1868, 1994
Possibility of Charge-Density-Wave Instability in the Barium Tungsten Bronze Ba0.15Wo3
The electronic band structure of the Ba0.15WO3 phase was calculated by employing the extended Huckel tight-binding method, and the nature of the partially filled bands was analyzed. Ba0.15WO3 has partially filled bands of one-dimensional (1D) as well as three-dimensional (3D) character. Consequently, Ba0.15WO3 may exhibit a charge density wave (CDW) instability due to the 1D bands but may remain metallic, even after a predicted CDW, because of the 3D band.
Keywords:PENTAGONAL TUNNEL STRUCTURE;OXIDES