TY  - JOUR
AU  - Bouhassoune, Mohammed
AU  - Schindlmayr, Arno
TI  - Ab Initio Study of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon
JO  - Advances in condensed matter physics
VL  - 2015
SN  - 1687-8124
CY  - New York, NY {[u.a.]
PB  - Hindawi Publ. Corp.
M1  - FZJ-2015-06974
SP  - 453125
PY  - 2015
AB  - Using ab initio computational methods, we study the structural and electronic properties of strained silicon, which has emerged as a promising technology to improve the performance of silicon-based metal-oxide-semiconductor field-effect transistors. In particular, higher electron mobilities are observed in n-doped samples with monoclinic strain along the [110] direction, and experimental evidence relates this to changes in the effective mass as well as the scattering rates. To assess the relative importance of these two factors, we combine density-functional theory in the local-density approximation with the GW approximation for the electronic self-energy and investigate the effect of uniaxial and biaxial strains along the [110] direction on the structural and electronic properties of Si. Longitudinal and transverse components of the electron effective mass as a function of the strain are derived from fits to the quasiparticle band structure and a diagonalization of the full effective-mass tensor. The changes in the effective masses and the energy splitting of the conduction-band valleys for uniaxial and biaxial strains as well as their impact on the electron mobility are analyzed. The self-energy corrections within GW lead to band gaps in excellent agreement with experimental measurements and slightly larger effective masses than in the local-density approximation.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000350656500001
DO  - DOI:10.1155/2015/453125
UR  - https://juser.fz-juelich.de/record/276646
ER  -