Mössbauer study of Fe in 3C-SiC following 57Mn implantation

Abstract

Ourinvestigations on substitutional and interstitial Fe in the group IV semiconductors, from 57 Fe Mössbauer measurements following 57 Mn implantation, have been continued with investigations in 3C-SiC. Mössbauer spectra were collected after implantation and measurement at temperatures from 300 to 905 K. Following

Mössbauer parameters of Fe-related defects in group-IV semiconductors: First principles calculations

“…This result explains the transformation of the Fe i,2 peak to the Fe i,1 peak observed in Ref. 36 upon annealing the SiC samples, allowing us to assign Fe i,1 and Fe i,2 peaks to Fe i,C and Fe i,Si , respectively.…”

“…As E f (Fe Si ) is between 1.2 eV and 2.3 eV lower than E f (Fe C ), it suggests a preferential incorporation of Fe in the Si sites, allowing us to assign the observed peak at δ = −0.23 mm/s reported in Ref. 36 to Fe Si (compared to the calculated value of −0.27 mm/s).…”

“…39 We note though, that experimental IS resonances for substitutional and interstitial Fe in both 6H-SiC and 3C-SiC follow similar trends. 36 Following the methodology outlined in Section II D, formation energy calculations for Fe Si and Fe C in 3C-SiC cubic supercells, yielded E f (Fe Si ) = 2.99 eV, 2.72 eV and 3.26 eV, and E f (Fe C ) = 4.78 eV, 5.05 eV and 4.51 eV under stoichiometric, Si-rich and C-rich crystal growth conditions respectively. As E f (Fe Si ) is between 1.2 eV and 2.3 eV lower than E f (Fe C ), it suggests a preferential incorporation of Fe in the Si sites, allowing us to assign the observed peak at δ = −0.23 mm/s reported in Ref.…”

“…While the agreement between theory and experiments is reasonable, only a single resonance has been reported for substitutional Fe, although two peaks are theoretically predicted. Interestingly, the overall trend of the MS peaks in Si, Ge, Diamond and SiC, [34][35][36] is characterized by a linear increase of δ(Fe s ) and δ(Fe i ) with the distance between Fe and its first neighbors, as depicted in Figure 2 of Ref. 37.…”