RT info:eu-repo/semantics/conferenceObject T1 First Principles Characterization of PnVm Clusters in Crystalline Silicon A1 Santos Tejido, Iván A1 Aboy Cebrián, María A1 López Martín, Pedro A1 Marqués Cuesta, Luis Alberto A1 Martín Encinar, Luis A1 Pelaz Montes, María Lourdes K1 Phosphorous-vacancy clusters K1 Ab initio calculations K1 Dipole moments K1 Microwave annealing K1 Crystalline Si K1 2202.03 Electricidad AB 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. PB Institute of Electrical and Electronics Engineers (IEEE). SN 979-8-3503-0240-0 YR 2023 FD 2023 LK https://uvadoc.uva.es/handle/10324/66548 UL https://uvadoc.uva.es/handle/10324/66548 LA eng NO 14 Spanish Conference on Electron Devices (CDE), Valencia, Spain, 2023 NO Producción Científica DS UVaDOC RD 23-dic-2024