Abstract
We report on a full potential linear muffin-tin orbital calculation of the electronicstructure of zircon at ambient conditions as well as under high pressure. The calculationsreproduce the experimentally observed pressure induced phase transition from the zircon toscheelite structure. The calculated transition pressure of 8 GPa compares very well with theexperimental value of about 10 GPa. Our calculated equation of state and the volume collapseassociated with the crystallographic change are also in very good agreement with experiment.
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