[19a-S224-1~10] 13.6 Semiconductor English Session

▲ [19a-S224-4] First-principles study of the impact of inter-dopants interaction on their wavefunctions in downscaled P-B co-doped Si nanorods

〇(PC)Anh Le The¹、Moraru Daniel²、Muruganathan Manoharan¹、Tabe Michiharu²、Mizuta Hiroshi^1,3 (1.JAIST、2.Shizuoka Univ.、3.Univ. of Southampton)

キーワード：First-principles calculation,P-B co-doping,Si nanostructures

Recent experimental studies of nanoscale p-n diodes have proved the importance of individual dopants on their electronic properties. As the dimensions of the Si MOSFETs are reduced to the nanoscale, the number of dopants in the channel is also reduced, so that only one or a few dopants govern the electron transport. The single-electron tunneling transport mediated via a deep donor or acceptor ground state (GS) is essential for the operation of single dopant-atom transistors at high temperature. The localization of donor and acceptor ground-state wavefunctions (WFs), therefore, can determine the electron tunneling current. The spatial distribution of the dopant WFs can be affected by many factors. However, the impacts of inter-dopants interaction on their WFs have not been studied fully. In particular, the interaction between P donor and B acceptor atoms in a very short distance is vital to understand the electronic and optical nature of P–B co-doped Si nanostructures. This study clarifies the effect of P–B interaction on the symmetries of dopant ground-state WFs. The impact of inter-dopants interaction on their WFs will be discussed in detail in the presentation.