Abstract
In this paper, the viability of using a genetic algorithm to find band structure parameters for empirical pseudopotential method (EPM) calculations is demonstrated by applying a genetic algorithm to find the EPM parameters for 4H-SiC. The form of the pseudopotential for 4H-SiC and the 19 form factors found by the genetic algorithm to fit the band structure to experimentally measured indirect energy gap and direct optical gaps are given. In addition, the effective masses for the conduction band minimum are extracted from the calculated band structure. It is shown that the genetic algorithm provides an effective, automated way to find parameters that give reasonably good fits to both the band gaps and the effective masses simultaneously.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 109-115 |
| Number of pages | 7 |
| Journal | Superlattices and Microstructures |
| Volume | 49 |
| Issue number | 1 |
| DOIs | |
| State | Published - Jan 2011 |
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Keywords
- Empirical pseudopotential method
- Genetic algorithm
- Silicon carbide
ASJC Scopus subject areas
- Electrical and Electronic Engineering
- Condensed Matter Physics
- Materials Science(all)
Cite this
Empirical pseudopotential band structure parameters of 4H-SiC using a genetic algorithm fitting routine. / Ng, G.; Vasileska, Dragica; Schroder, D. K.
In: Superlattices and Microstructures, Vol. 49, No. 1, 01.2011, p. 109-115.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Empirical pseudopotential band structure parameters of 4H-SiC using a genetic algorithm fitting routine
AU - Ng, G.
AU - Vasileska, Dragica
AU - Schroder, D. K.
PY - 2011/1
Y1 - 2011/1
N2 - In this paper, the viability of using a genetic algorithm to find band structure parameters for empirical pseudopotential method (EPM) calculations is demonstrated by applying a genetic algorithm to find the EPM parameters for 4H-SiC. The form of the pseudopotential for 4H-SiC and the 19 form factors found by the genetic algorithm to fit the band structure to experimentally measured indirect energy gap and direct optical gaps are given. In addition, the effective masses for the conduction band minimum are extracted from the calculated band structure. It is shown that the genetic algorithm provides an effective, automated way to find parameters that give reasonably good fits to both the band gaps and the effective masses simultaneously.
AB - In this paper, the viability of using a genetic algorithm to find band structure parameters for empirical pseudopotential method (EPM) calculations is demonstrated by applying a genetic algorithm to find the EPM parameters for 4H-SiC. The form of the pseudopotential for 4H-SiC and the 19 form factors found by the genetic algorithm to fit the band structure to experimentally measured indirect energy gap and direct optical gaps are given. In addition, the effective masses for the conduction band minimum are extracted from the calculated band structure. It is shown that the genetic algorithm provides an effective, automated way to find parameters that give reasonably good fits to both the band gaps and the effective masses simultaneously.
KW - Empirical pseudopotential method
KW - Genetic algorithm
KW - Silicon carbide
UR - http://www.scopus.com/inward/record.url?scp=78650704437&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=78650704437&partnerID=8YFLogxK
U2 - 10.1016/j.spmi.2010.11.009
DO - 10.1016/j.spmi.2010.11.009
M3 - Article
AN - SCOPUS:78650704437
VL - 49
SP - 109
EP - 115
JO - Superlattices and Microstructures
JF - Superlattices and Microstructures
SN - 0749-6036
IS - 1
ER -