2015
DOI: 10.4028/www.scientific.net/ssp.242.211
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Mössbauer Spectroscopy on Fe Impurities in Si Materials

Abstract: Based on a series of Mössbauer spectroscopic investigations on Fe impurities in p-type and n-type Si materials, we propose a new model for Fe impurities in Si matrix, consisting not only of interstitial Fe, but also substitutional Fe atoms with different charge states. Mössbauer spectroscopy enables us to observe directly these components which transform each other by changing external conditions such as under light illumination, under external voltage, and also under external stress. This means that not onl… Show more

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Cited by 4 publications
(4 citation statements)
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References 24 publications
(48 reference statements)
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“…118 They are also at variance with a recent proposal that the Fe i B s pair gives rise to a single resonant line (presumably without or with unresolvable quadrupole splitting) at δ = 0.42 mm/s. 43 On the other hand, they are in much better agreement with earlier work by Bergholz on 57 Co-contaminated ptype Si, where at least three doublets were observed with intensities that depended on the temperature of the measurements, and were all assigned to 57 Co i B s pairs. All these doublets had δ values of about 0.7 mm/s, and were split by either 0.21, 0.54 and 1.04 mm/s, the one with larger ∆ being assigned to the 111 -oriented structure studied here.…”
Section: Iron-boron Pair In Sisupporting
confidence: 90%
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“…118 They are also at variance with a recent proposal that the Fe i B s pair gives rise to a single resonant line (presumably without or with unresolvable quadrupole splitting) at δ = 0.42 mm/s. 43 On the other hand, they are in much better agreement with earlier work by Bergholz on 57 Co-contaminated ptype Si, where at least three doublets were observed with intensities that depended on the temperature of the measurements, and were all assigned to 57 Co i B s pairs. All these doublets had δ values of about 0.7 mm/s, and were split by either 0.21, 0.54 and 1.04 mm/s, the one with larger ∆ being assigned to the 111 -oriented structure studied here.…”
Section: Iron-boron Pair In Sisupporting
confidence: 90%
“…42 Extensive measurements in n-and p-type samples, where 57 Fe was introduced by several methods, were also carried out by Yoshida and his group. 13,26,43 Although their data for p-type Si seems to be in line with other reported data (δ = 0.8 mm/s), for n-type material a resonance at δ = 0.40 mm/s has been assigned to Fe 0 i . Since our calculations conflict with this assignment, we investigated several possible sources of error, including (i) increasing the BZ sampling grid to MP-4 3 , (ii) bringing the 3s state of Fe into the valence to be treated within the Kohn-Sham scheme, (iii) including an on-site correction to the exchange-correlation energy by means of the GGA+U +J approach as proposed by Liechtenstein et al 113 (with Hubbard and Hund parameters in the range U = 2-5 eV and J = 0-1 eV), and (iv) using the local density approximation to the electronic exchange-correlation interactions.…”
Section: B Interstitial Iron In Siliconsupporting
confidence: 89%
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