Million-Atom Pseudopotential Calculation of Gamma-X Mixing in GaAs/AlAs Superlattices and Quantum Dots
Journal Article
·
· Physical Review Letters
We have developed a "linear combination of bulk bands" method that permits atomistic, pseudopotential electronic structure calculations for .apprx.10(sup6) atom nanostructures. Application to (GaAs)n/A1As)n (001) superlattices (SL's) reveals even-odd oscillations in the ..Gamma..-X coupling magnitude Vrx(n), which vanishes for n = odd, even for abrupt and segregated SL's, respectively. Surprisingly, in contrast with recent expectations, OD quantum dots are found here to have a smaller ..Gamma..-X coupling than equivalent 2D SL's. Our analysis shows that for large quantum dots this is largely due to the existence of level repulsion from many X states.
- Research Organization:
- National Renewable Energy Laboratory (NREL), Golden, CO.
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC36-99GO10337
- OSTI ID:
- 915285
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 14, 7 April 1997 Vol. 78; ISSN 0031-9007; ISSN PRLTAO
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALUMINIUM ARSENIDES
ATOMS
Development of Theoretical and Computational Techniques: Statistical Mechanics of Alloys
ELECTRONIC STRUCTURE
Electronic Structure of Alloys: Optical Properties and Bowing in Semiconductor Alloys
GALLIUM ARSENIDES
Materials Science and Semiconductors
NANOSTRUCTURES
OSCILLATIONS
QUANTUM DOTS
Quantum Nanostructures: Boxes
Films
Wires
SUPERLATTICES
Solid State Theory
Statistical Mechanics and Thermodynamics of Alloys: Isovalent Semiconductor Alloys
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALUMINIUM ARSENIDES
ATOMS
Development of Theoretical and Computational Techniques: Statistical Mechanics of Alloys
ELECTRONIC STRUCTURE
Electronic Structure of Alloys: Optical Properties and Bowing in Semiconductor Alloys
GALLIUM ARSENIDES
Materials Science and Semiconductors
NANOSTRUCTURES
OSCILLATIONS
QUANTUM DOTS
Quantum Nanostructures: Boxes
Films
Wires
SUPERLATTICES
Solid State Theory
Statistical Mechanics and Thermodynamics of Alloys: Isovalent Semiconductor Alloys