Abstract
A density functional theory study is reported on pure and potassium doped tungsten trioxide. The nature of lattice distortions in the hexagonal phase is analyzed and a new symmetry group is proposed. The structure and stability of cubic, monoclinic, and hexagonal phases is studied as a function of potassium doping and an approximate phase diagram is derived. K${}_{x}$WO${}_{3}$ undergoes a monoclinic to hexagonal phase transition at $x\ensuremath{\sim}3%$.
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