Optical properties and electronic structure of rock-salt ZnO under pressure

Segura, A.; Sans, J. A.; Manjón, F. J.; Muñoz, A.; Herrera-Cabrera, M. J.
July 2003
Applied Physics Letters;7/14/2003, Vol. 83 Issue 2, p278
Academic Journal
This letter reports on the pressure dependence of the optical absorption edge of ZnO in the rock-salt phase, up to 20 GPa. Both vapor-phase monocrystals and pulsed-laser-deposition thin films on mica have been investigated. Rock-salt ZnO is shown to be an indirect semiconductor with a band gap of 2.45±0.15 eV, whose pressure coefficient is very small. At higher photon energies, a direct transition is observed (4.6 eV at 10 GPa), with a positive pressure coefficient around 40 ±3 meV/GPa between 5 and 19 GPa. These results are interpreted on the basis of first-principles electronic band structure calculations.


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