Bandgap tuning in highly c-axis oriented Zn1-xMgxO thin films

Kumar, Parmod; Malik, Hitendra K.; Ghosh, Anima; Thangavel, R.; Asokan, K.
June 2013
Applied Physics Letters;6/3/2013, Vol. 102 Issue 22, p221903
Academic Journal
We propose Mg doping in zinc oxide (ZnO) films for realizing wider optical bandgap in highly c-axis oriented Zn1-xMgxO (0 ≤ x ≤ 0.3) thin films. A remarkable enhancement of 25% in the bandgap by 30% Mg doping was achieved. The bandgap was tuned between 3.25 eV (ZnO) and 4.06 eV (Zn0.7Mg0.3O), which was further confirmed by density functional theory based wien2k simulation employing a combined generalized gradient approximation with scissor corrections. The change of stress and crystallite size in these films were found to be the causes for the observed blueshift in the bandgap.


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