Empirical Pseudopotential Method for the Band Structure Calculation of Strained-Silicon Germanium Materials

Salvador Gonzalez; Dragica Vasileska; Alexander A. Demkov

doi:10.1023/A:1020713105879

Empirical Pseudopotential Method for the Band Structure Calculation of Strained-Silicon Germanium Materials

Salvador Gonzalez
, Dragica Vasileska
, Alexander A. Demkov

Electrical Engineering

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

The band structure of strained-silicon germanium (Si_{1 − x}Ge_x) is calculated as a preliminary step in developing a full band Monte Carlo (FBMC) simulator. The band structure for the alloy is calculated using the empirical pseudopotential method (EPM) within the virtual crystal approximation (VCA). Spin-orbit interaction is included into the calculation via the Löwdin quasi-degenerate perturbation theory, which significantly reduces the computation time. Furthermore, strain is included by utilizing basic elastic theory. Ultimately, the band structure for strained Si_{1 − x}Ge_x is calculated at various germanium concentrations.

Original language	English (US)
Pages (from-to)	179-183
Number of pages	5
Journal	Journal of Computational Electronics
Volume	1
Issue number	1-2
DOIs	https://doi.org/10.1023/A:1020713105879
State	Published - Jul 1 2002

Keywords

band structure calculation
empirical pseudopotential method
strained-silicon germanium
virtual crystal approximation

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Modeling and Simulation
Electrical and Electronic Engineering

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10.1023/A:1020713105879

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title = "Empirical Pseudopotential Method for the Band Structure Calculation of Strained-Silicon Germanium Materials",

abstract = "The band structure of strained-silicon germanium (Si1 − xGex) is calculated as a preliminary step in developing a full band Monte Carlo (FBMC) simulator. The band structure for the alloy is calculated using the empirical pseudopotential method (EPM) within the virtual crystal approximation (VCA). Spin-orbit interaction is included into the calculation via the L{\"o}wdin quasi-degenerate perturbation theory, which significantly reduces the computation time. Furthermore, strain is included by utilizing basic elastic theory. Ultimately, the band structure for strained Si1 − xGex is calculated at various germanium concentrations.",

keywords = "band structure calculation, empirical pseudopotential method, strained-silicon germanium, virtual crystal approximation",

author = "Salvador Gonzalez and Dragica Vasileska and Demkov, \{Alexander A.\}",

note = "Publisher Copyright: {\textcopyright} 2002, Kluwer Academic Publishers.",

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AU - Vasileska, Dragica

AU - Demkov, Alexander A.

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Y1 - 2002/7/1

N2 - The band structure of strained-silicon germanium (Si1 − xGex) is calculated as a preliminary step in developing a full band Monte Carlo (FBMC) simulator. The band structure for the alloy is calculated using the empirical pseudopotential method (EPM) within the virtual crystal approximation (VCA). Spin-orbit interaction is included into the calculation via the Löwdin quasi-degenerate perturbation theory, which significantly reduces the computation time. Furthermore, strain is included by utilizing basic elastic theory. Ultimately, the band structure for strained Si1 − xGex is calculated at various germanium concentrations.

AB - The band structure of strained-silicon germanium (Si1 − xGex) is calculated as a preliminary step in developing a full band Monte Carlo (FBMC) simulator. The band structure for the alloy is calculated using the empirical pseudopotential method (EPM) within the virtual crystal approximation (VCA). Spin-orbit interaction is included into the calculation via the Löwdin quasi-degenerate perturbation theory, which significantly reduces the computation time. Furthermore, strain is included by utilizing basic elastic theory. Ultimately, the band structure for strained Si1 − xGex is calculated at various germanium concentrations.

KW - band structure calculation

KW - empirical pseudopotential method

KW - strained-silicon germanium

KW - virtual crystal approximation

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JF - Journal of Computational Electronics

IS - 1-2

ER -

Empirical Pseudopotential Method for the Band Structure Calculation of Strained-Silicon Germanium Materials

Abstract

Keywords

ASJC Scopus subject areas

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