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First Principles Characterization of P_nV_m Clusters in Crystalline Silicon

Iván Santos, María Aboy, Pedro López, Luis Martín-Encinar, Luis A. Marqués, Lourdes Pelaz

2023 Spanish Conference on Electron Devices (CDE) 2023, 1-4 (2023)

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Abstract:

We used ab initio calculations to characterize PnVm (n=1−6,m=1,2) clusters in crystalline Si by calculating their formation energy, dipole moment and local vibrational modes. This information served us to discuss which PnVm complexes might be more relevant in doping during epitaxial growth or by ion implantation, and their possible behavior under microwave annealing treatments that was recently demonstrated as a promising process in technological nodes beyond 3 nm.

DOI: 10.1109/CDE58627.2023.10339444

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Funded by:

• PID2020-115118GB-I00: Atomistic modeling of high energy irradiation in semiconductors,
  

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