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000276646 1001_ $$0P:(DE-Juel1)145203$$aBouhassoune, Mohammed$$b0
000276646 245__ $$aAb Initio Study of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon
000276646 260__ $$aNew York, NY {[u.a.]$$bHindawi Publ. Corp.$$c2015
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000276646 520__ $$aUsing 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.
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000276646 7001_ $$00000-0002-4855-071X$$aSchindlmayr, Arno$$b1$$eCorresponding author
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