TY - GEN
T1 - Ab-initio study of boron diffusion retardation in Si1-xGex
AU - Yonghyun, Kim
AU - Kirichenko, Taras A.
AU - Banerjee, Sanjay K.
AU - Hwang, Gyeong S.
PY - 2006
Y1 - 2006
N2 - We study B diffusion in the presence of Ge by using the first principles density functional theory calculation. We investigate the relative stability and migration barriers of Si and Ge interstitials as well as binding energy and the diffusion pathway of Boron-Interstitial (BI) pair comprised of Boron and Si or Ge interstitials. We find that Ge interstitials are more stable but less mobile compared to Si interstitials, leading to higher population of interstitials in the implanted Si 1-xGe x. However, BI pair comprised of the Ge interstitial and Boron is less stable compared to the Si interstitial -Boron pair. Also, the migration barrier of the BI pair in the presence of Ge is increased, leading to less TED.
AB - We study B diffusion in the presence of Ge by using the first principles density functional theory calculation. We investigate the relative stability and migration barriers of Si and Ge interstitials as well as binding energy and the diffusion pathway of Boron-Interstitial (BI) pair comprised of Boron and Si or Ge interstitials. We find that Ge interstitials are more stable but less mobile compared to Si interstitials, leading to higher population of interstitials in the implanted Si 1-xGe x. However, BI pair comprised of the Ge interstitial and Boron is less stable compared to the Si interstitial -Boron pair. Also, the migration barrier of the BI pair in the presence of Ge is increased, leading to less TED.
UR - http://www.scopus.com/inward/record.url?scp=33751113657&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:33751113657
SN - 1558998683
SN - 9781558998681
T3 - Materials Research Society Symposium Proceedings
SP - 105
EP - 109
BT - Doping Engineering for Device Fabrication
T2 - 2006 MRS Spring Meeting
Y2 - 18 April 2006 through 21 April 2006
ER -