Theoretical study of the effects of vacancy and oxygen impurity on Ti2GaC)
Chen Jun-Juna), Duan Ji-Zhengb), Zhao Da-Qianga), Zhang Jian-Rongb), Yang Yanga), Duan Wen-Shan†a)
       
Two kinds of configurations of Ti2GaC containing an O interstitial: (a) oxygen atom occupying the octahedral site, and (b) oxygen atom at the center of the triangle composed by three Ga atoms.