Boron Clusters in High-Dose Implanted Silicon

Abstract

The electronic structures and X-ray photoelectron spectra of silicon models with octahedral B 6 , icosahedral B 12 , or cubooctahedral B 12 clusters are investigated using first-principles calculations. It is found that the B 6 and B 12 clusters act as double acceptors in silicon and that the simulated chemical shift of the B 1s orbital signals of the B 6 and cubo-octahedral B 12 clusters in X-ray photoelectron spectra coincides exactly with the chemical shift of B 1s experimentally observed in as-implanted silicon at an extremely high dose of boron. These results reveal that the B 6 and cubo-octahedral B 12 clusters are the origin of hole carriers in silicon. We propose a mechanism for hole generation and a physical model for boron cluster formation at implantation-induced divacancy sites and multi vacancy sites.

Towards controlled molecular beam epitaxial growth of artificially stacked Si: Study of boron adsorption and surface segregation on Si(111)

“…This is supported by the fact that such peak was not observed at c B o0.5 ML. Furthermore, already in solid state, boron tends to cluster at higher concentration with certain size and structure [14,15]. The same can be expected on surfaces in case of boron excess.…”

Contribution of Carbon to Growth of Boron-Containing Cluster in Heavily Boron-Doped Silicon

“…The components peaking at 187.3, 188.0, and 192.0 eV are due to the three-folded, four-folded, and oxidized B in Si, respectively. 16,17,[19][20][21] The strongest component peaking at 188.6 eV is attributed to the clustered B. 16,17,19,21) For B þimplanted samples with various C contents, the B 1s signals were deconvoluted, as shown in Figs.…”

“…16,17,[19][20][21] The strongest component peaking at 188.6 eV is attributed to the clustered B. 16,17,19,21) For B þimplanted samples with various C contents, the B 1s signals were deconvoluted, as shown in Figs. 4(a)-4(c).…”

“…Until recently, various studies have focused on the thermal behavior of B atoms as well as electronic properties in Si for high B concentrations. [16][17][18][19] Immobile and electrically inactive B-containing clusters and precipitates are easily formed at high B concentrations below the equilibrium solid solubility at high-temperature annealing. However, the impact of the C incorporation on the thermal behavior of B atoms in Si is not yet fully understood.…”

In situ integration of cobalt diselenide nanoparticles on CNTs realizing durable hydrogen evolution

“…The B 1s signal is located at 186.5 eV, which belongs to the three-fold coordination of B element. 24,25 It is reasonable to believe that the presence of three fold coordinated B element would increase defect density and improve the HER performance of CoSe 2 /CNTs composite.…”