Band electronic structure of the molybdenum blue bronze A(0. 30)MoO3 (A=K, Rb).

The "blue bronze", K(0.30)MoO3, exhibits a charge density wave (CDW) driven phase transition at 180K below which a variety of unusual phenomena associated with conductivity via a moving ("sliding") CDW are observed. Despite numerous experimental studies on K(0.30)MoO3, no band structure calculations have been reported so far. To simulate the band electronic structure of K(0.30)MoO3, we performed tight-binding band calculations on a number of local model chains and on an Mo10O30 slab as found in the room temperature crystal structure.