Engineering ZnO with Cu doping to lower the transition pressure: Experimental and theoretical investigations

Zinc Oxide (ZnO) is an n-type wide bandgap semiconductor. Doping of different elements in ZnO potentially affects its structural, optical and electronic properties. We have carried out high pressure angle dispersive x-ray diffraction and Raman scattering studies on Zn0.99Cu0.01O. We observed the substantial lowering of the transition pressure threshold from the wurtzite to rock salt phase compared to pristine ZnO. Experimental findings are also supported through computational data from density functional theory simulations. The charge transfer from a Cu atom in ZnO may be responsible for the reduction in the transition pressure threshold.