Full metadata
Title
Electronic and optical properties of Si-Ge-Sn alloys
Description
In this thesis a new method based on the Tight-Binding Linear Muffin Tin Orbital (TB-LMTO) formalism and the Quasiparticle Self-consistent GW (QSGW) approximation is proposed. The method is capable of generating accurate electronic bands structure of large supercells necessary to model alloys structures. The strategy consist in building simple and small hamiltonian from linear Muffin-tin-orbitals (LMTO). Parameters in this hamiltonian are then used to fit the difference in QSGW self-energies and LDA exchange-correlation potentials. The parameter are assumed to transfer to new environments --- a procedure we check carefully by comparing our predicted band to QSGW bands for small supercells. The method possess both the accuracy of the QSGW approximation, (which is the most reliable way to determine energy bands accurately, and yet too expensive for the large supercells required here), and the efficiency of the TB-LMTO method. The accurate and highly efficient hamiltonian is used to predict the electronic and optical transitions of Si1-xGex alloys and SnxSiyGe1-x-y alloys. The goal is to engineer direct band gap material compatible with the silicon technology. The results obtained are compared to available experimental data.
Date Created
2011
Contributors
- Donfack, Hermann Azemtsa (Author)
- Van Schilfgaarde, Mark (Thesis advisor)
- Dow, John D. (Thesis advisor)
- Ponce, Fernando (Committee member)
- Ritchie, Barry (Committee member)
- Chamberlin, Ralph (Committee member)
- Arizona State University (Publisher)
Topical Subject
- Physics
- Silicon alloys--Electric properties--Mathematical models.
- Silicon alloys
- Silicon alloys--Optical properties--Mathematical models.
- Silicon alloys
- Germanium alloys--Electric properties--Mathematical models.
- Germanium alloys
- Germanium alloys--Optical properties--Mathematical models.
- Germanium alloys
- Tin alloys--Electric properties--Mathematical models.
- Tin alloys
- Tin alloys--Optical properties--Mathematical models.
- Tin alloys
Resource Type
Extent
ix, 76 p. : ill. (some col.)
Language
eng
Copyright Statement
In Copyright
Primary Member of
Peer-reviewed
No
Open Access
No
Handle
https://hdl.handle.net/2286/R.I.14455
Statement of Responsibility
by Hermann Azemtsa Donfack
Description Source
Retrieved on August 13, 2013
Level of coding
full
Note
thesis
Partial requirement for: Ph.D., Arizona State University, 2011
bibliography
Includes bibliographical references (p. 72-76)
Field of study: Physics
System Created
- 2012-08-24 06:12:35
System Modified
- 2021-08-30 01:49:16
- 3 years 2 months ago
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