Erratum: Beyond the local-density approximation in calculations of ground-state electronic properties

1984 ◽  
Vol 29 (4) ◽  
pp. 2310-2310 ◽  
Author(s):  
David C. Langreth ◽  
M. J. Mehl
Keyword(s):  
Electronic Properties ◽  
Ground State ◽  
Local Density Approximation ◽  
Local Density ◽  
Density Approximation

scholarly journals Ab InitioStudy of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon

2015 ◽  
Vol 2015 ◽  
pp. 1-8 ◽  
Author(s):  
Mohammed Bouhassoune ◽  
Arno Schindlmayr
Keyword(s):  
Electronic Properties ◽  
Effective Mass ◽  
Local Density Approximation ◽  
Field Effect Transistors ◽  
Local Density ◽  
Energy Splitting ◽  
Density Approximation ◽  
Self Energy ◽  
Effective Masses ◽  
Structural And Electronic Properties

Usingab initiocomputational 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 inn-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 theGWapproximation 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 withinGWlead to band gaps in excellent agreement with experimental measurements and slightly larger effective masses than in the local-density approximation.

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