Defect stability in thorium monocarbide: An ab initio study
Wang Chang-Yinga),b), Han Hana),c), Shao Kuana),b), Cheng Cheng†a),c), Huai Ping‡a),c)
       
(a) Simplified diagram for carbon Frenkel defect: the positions of the carbon vacancy ( V C) and of the carbon interstitial ( I C) are indicated by the arrows. (b) Simplified diagram for thorium Frenkel defect: the positions of the thorium vacancy ( V Th) and of the thorium interstitial ( I Th) are indicated by the arrows. (c) Carbon dimer plus carbon vacancy: a carbon vacancy ( V C) is formed and a carbon dimer (C2) appears. (d) Carbon trimer plus carbon vacancy: a carbon vacancy ( V C) is formed and a carbon trimer (C3) appears. Th atoms in green, C atoms in black, carbon vacancy and thorium vacancy in black dotted circle.