RT info:eu-repo/semantics/article
T1 W and X Photoluminescence Centers in Crystalline Si: Chasing Candidates at Atomic Level Through Multiscale Simulations
A1 Aboy Cebrián, María
A1 Santos Tejido, Iván
A1 López Martín, Pedro
A1 Marqués Cuesta, Luis Alberto
A1 Pelaz Montes, María Lourdes
K1 Fotoluminiscencia
K1 Silicio cristalino
K1 Photoluminescence
K1 Crystalline silicon
AB Several atomistic techniques have been combined to identify the structure of defects responsible for X and W photoluminescence lines in crystalline Si. We used kinetic Monte Carlo simulations to reproduce irradiation and annealing conditions used in photoluminescence experiments. We found that W and X radiative centers are related to small Si self-interstitial clusters but coexist with larger Si self-interstitials clusters that can act as nonradiative centers. We used molecular dynamics simulations to explore the many different configurations of small Si self-interstitial clusters, and selected those having symmetry compatible with W and X photoluminescence centers. Using ab initio simulations, we calculated their formation energy, donor levels, and energy of local vibrational modes. On the basis of photoluminescence experiments and our multiscale theoretical calculations, we discuss the possible atomic configurations responsible for W and X photoluminescence centers in Si. Our simulations also reveal that the intensity of photoluminescence lines is the result of competition between radiative centers and nonradiative competitors, which can explain the experimental quenching of W and X lines even in the presence of the photoluminescence centers.
PB Springer
SN 0361-5235
YR 2018
FD 2018
LK http://uvadoc.uva.es/handle/10324/30981
UL http://uvadoc.uva.es/handle/10324/30981
LA eng
NO Journal of Electronic Materials,  2018, Volume 47, Issue 9, pp 5045–5049
NO Producción Científica
DS UVaDOC
RD 19-abr-2024