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University of Illinois at Urbana-Champaign.

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Electronic and optical properties of silicon based semiconductors with reduced dimension: A theoretical study.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Electronic and optical properties of silicon based semiconductors with reduced dimension: A theoretical study./
Author:	Qian, Gefei.
Description:	110 p.
Notes:	Adviser: Yia-Chung Chang.
Contained By:	Dissertation Abstracts International67-11B.
Subject:	Biophysics, General. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3242966
ISBN:	9780542989933

Electronic and optical properties of silicon based semiconductors with reduced dimension: A theoretical study.
Qian, Gefei.

Electronic and optical properties of silicon based semiconductors with reduced dimension: A theoretical study. - 110 p.

Adviser: Yia-Chung Chang.

Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2006.

We have developed efficient theoretical methods to study nanoscale silicon-based semiconductor materials. The Si surface, delta-doped Si semiconductors and Si clusters are studied by Density Functional Theory with Local Density Approximation (DFT-LDA) with plane-wave, DFT-LDA with Wannier orbitals and GW approximation. First, on the Hydrogen-passivated Si surface, the migration of Si atoms is studied with FHIMD package. The result shows a special migration path along the surface dimer row. And further calculation shows that clustering is a possible mechanism for the interruption of the homoepitaxial growth of Si in low temperatures. Second, a planar Wannier orbital scheme is formulated to study phosphorus delta-doped Si. The delta-doped Si is studied at various high doping densities, ranging 1/1024 ML &sim; 1/4 ML, which is 6.6 x 1011cm-2&sim;1.7 x 10 14cm-2. Our result on the experimental 1/4ML doping shows that the Fermi level is 100meV below conduction band minimum, and the short range interaction effect is small. Last, an efficient GWA method is developed to study Hydrogen passivated Si clusters. The method, using basic group theory and the symmetry of the clusters, makes the GW study of nanoclusters possible. The study shows that the bright light emitted from 1-nm SiH clusters comes from the two excitations in the Si29 H24 cluster.

ISBN: 9780542989933Subjects--Topical Terms:

1019105
Biophysics, General.

Electronic and optical properties of silicon based semiconductors with reduced dimension: A theoretical study.
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020 $a 9780542989933
035 $a (UMI)AAI3242966
035 $a AAI3242966
040 $a UMI $c UMI
100 1 $a Qian, Gefei. $3 1044737
245 1 0 $a Electronic and optical properties of silicon based semiconductors with reduced dimension: A theoretical study.
300 $a 110 p.
500 $a Adviser: Yia-Chung Chang.
500 $a Source: Dissertation Abstracts International, Volume: 67-11, Section: B, page: 6463.
502 $a Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2006.
520 $a We have developed efficient theoretical methods to study nanoscale silicon-based semiconductor materials. The Si surface, delta-doped Si semiconductors and Si clusters are studied by Density Functional Theory with Local Density Approximation (DFT-LDA) with plane-wave, DFT-LDA with Wannier orbitals and GW approximation. First, on the Hydrogen-passivated Si surface, the migration of Si atoms is studied with FHIMD package. The result shows a special migration path along the surface dimer row. And further calculation shows that clustering is a possible mechanism for the interruption of the homoepitaxial growth of Si in low temperatures. Second, a planar Wannier orbital scheme is formulated to study phosphorus delta-doped Si. The delta-doped Si is studied at various high doping densities, ranging 1/1024 ML &sim; 1/4 ML, which is 6.6 x 1011cm-2&sim;1.7 x 10 14cm-2. Our result on the experimental 1/4ML doping shows that the Fermi level is 100meV below conduction band minimum, and the short range interaction effect is small. Last, an efficient GWA method is developed to study Hydrogen passivated Si clusters. The method, using basic group theory and the symmetry of the clusters, makes the GW study of nanoclusters possible. The study shows that the bright light emitted from 1-nm SiH clusters comes from the two excitations in the Si29 H24 cluster.
520 $a In this work, we have successfully studied silicon surface, phosphorus delta-doped silicon, and Hydrogen passivated silicon clusters. To study the systems efficiently, we have developed planar Wannier formula with envelope functions, and GWA formula in symmetrized plane-wave basis. The formulas are successfully applied to the studied materials. Moreover, the methods can be used to study other nano-materials.
590 $a School code: 0090.
650 4 $a Biophysics, General. $3 1019105
650 4 $a Physics, Condensed Matter. $3 1018743
690 $a 0611
690 $a 0786
710 2 0 $a University of Illinois at Urbana-Champaign. $3 626646
773 0 $t Dissertation Abstracts International $g 67-11B.
790 $a 0090
790 1 0 $a Chang, Yia-Chung, $e advisor
791 $a Ph.D.
792 $a 2006
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3242966