Abstract
We use first-principles calculations and experimental data to demonstrate that impurity segregation at heterointerfaces is governed by several factors. In particular, Hf impurities avoid the Si-SiO2 interface when present in the SiO2 side, might segregate if present in the Si side, but do not cross into SiO2. Substitutional Hf impurities in SiO2, as revealed by a through-focal series of Z -contrast images, act as markers for Si sites, suggesting ordering in the first two Si planes of the amorphous SiO2. Finally, we show that dopants in Si segregate at the interface by adopting several distinct configurations and also do not cross into SiO2.
| Original language | English |
|---|---|
| Article number | 195317 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 77 |
| Issue number | 19 |
| DOIs | |
| Publication status | Published - 15 May 2008 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Impurity segregation and ordering in Si/ SiO2 / HfO2 structures. / Marinopoulos, A. G.; Van Benthem, K.; Rashkeev, Sergey; Pennycook, S. J.; Pantelides, S. T.
In: Physical Review B - Condensed Matter and Materials Physics, Vol. 77, No. 19, 195317, 15.05.2008.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Impurity segregation and ordering in Si/ SiO2 / HfO2 structures
AU - Marinopoulos, A. G.
AU - Van Benthem, K.
AU - Rashkeev, Sergey
AU - Pennycook, S. J.
AU - Pantelides, S. T.
PY - 2008/5/15
Y1 - 2008/5/15
N2 - We use first-principles calculations and experimental data to demonstrate that impurity segregation at heterointerfaces is governed by several factors. In particular, Hf impurities avoid the Si-SiO2 interface when present in the SiO2 side, might segregate if present in the Si side, but do not cross into SiO2. Substitutional Hf impurities in SiO2, as revealed by a through-focal series of Z -contrast images, act as markers for Si sites, suggesting ordering in the first two Si planes of the amorphous SiO2. Finally, we show that dopants in Si segregate at the interface by adopting several distinct configurations and also do not cross into SiO2.
AB - We use first-principles calculations and experimental data to demonstrate that impurity segregation at heterointerfaces is governed by several factors. In particular, Hf impurities avoid the Si-SiO2 interface when present in the SiO2 side, might segregate if present in the Si side, but do not cross into SiO2. Substitutional Hf impurities in SiO2, as revealed by a through-focal series of Z -contrast images, act as markers for Si sites, suggesting ordering in the first two Si planes of the amorphous SiO2. Finally, we show that dopants in Si segregate at the interface by adopting several distinct configurations and also do not cross into SiO2.
UR - http://www.scopus.com/inward/record.url?scp=43949138617&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=43949138617&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.77.195317
DO - 10.1103/PhysRevB.77.195317
M3 - Article
AN - SCOPUS:43949138617
VL - 77
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 19
M1 - 195317
ER -