Key Laboratory of Inorganic Functional Material and Device, CAS, Shanghai Institute of Ceramics, Chinese Academy of Sciences
Mechanism of Doping limit in extremely heavily doped semiconductors: Sn-doped In2O3
Prof. Chul Hong Park
Department of Physics Education
Pusan National University
Gumjung, Pusan 46241, Korea
地点： 4 号楼 14楼第二会议室
The microscopic structure of the extremely heavily Sn-doped In2O3 are investigated through the first-principles total energy calculations. The evolution of the doping efficiency around the doping limit is investigated.
It is shown that the optimal dopant concentration is determined by the interaction between the defect and compensating defects. The formation energies of compensating defects are shown to be significantly reduced by the interactions with the dopants. The effect of the interaction is proportional to the dopant concentration. Thus as the concentration of impurity exceeds 1021 cm-3, the formations of defects are enhanced, and thus surprisingly the concentration of the free electron carrier is found to be lowered, even if the concentration of dopant increases.