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| Hauptseite > Workflowsammlungen > Öffentliche Einträge > Ab Initio Study of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon > print |
| Hauptseite > Workflowsammlungen > Öffentliche Einträge > Ab Initio Study of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon > print |
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| 100 | 1 | _ | |0 P:(DE-Juel1)145203 |a Bouhassoune, Mohammed |b 0 |
| 245 | _ | _ | |a Ab Initio Study of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon |
| 260 | _ | _ | |a New York, NY {[u.a.] |b Hindawi Publ. Corp. |c 2015 |
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| 520 | _ | _ | |a 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. |
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| 700 | 1 | _ | |0 0000-0002-4855-071X |a Schindlmayr, Arno |b 1 |e Corresponding author |
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