Abstract
Wurtzite (W)-zinc blende (ZB) structural stability of semiconductors is systematically investigated based on a newly developed empirical potential, which incorporates electrostatic energies due to bond charges and ionic charges. Using the empirical potential, the system energies are calculated for bulk and various heterostructures such as GaN(0 0 0 1)/GaAs(1 1 1) and GaN(0 0 0 1)/AlAs(1 1 1). The calculated results predict that W-structured GaN is more stable on AlAs(1 1 1) compared to that on GaAs(1 1 1). The W-ZB structural stability is discussed in terms of strain energy and electrostatic energy contributions. The calculated results imply that ionicity difference between thin film and substrate materials is crucial for understanding the W-ZB structural stability in heterostructures consisting of (0 0 0 1)-oriented W-structured and (1 1 1)-oriented ZB-structured semiconductors.
| Original language | English |
|---|---|
| Pages (from-to) | 149-153 |
| Number of pages | 5 |
| Journal | Journal of Crystal Growth |
| Volume | 235 |
| Issue number | 1-4 |
| DOIs | |
| Publication status | Published - Feb 1 2002 |
| Externally published | Yes |
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All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Inorganic Chemistry
- Materials Chemistry
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An empirical potential approach to wurtzite-zinc blende structural stability of semiconductors. / Ito, Tomonori; Kangawa, Yoshihiro.
In: Journal of Crystal Growth, Vol. 235, No. 1-4, 01.02.2002, p. 149-153.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - An empirical potential approach to wurtzite-zinc blende structural stability of semiconductors
AU - Ito, Tomonori
AU - Kangawa, Yoshihiro
PY - 2002/2/1
Y1 - 2002/2/1
N2 - Wurtzite (W)-zinc blende (ZB) structural stability of semiconductors is systematically investigated based on a newly developed empirical potential, which incorporates electrostatic energies due to bond charges and ionic charges. Using the empirical potential, the system energies are calculated for bulk and various heterostructures such as GaN(0 0 0 1)/GaAs(1 1 1) and GaN(0 0 0 1)/AlAs(1 1 1). The calculated results predict that W-structured GaN is more stable on AlAs(1 1 1) compared to that on GaAs(1 1 1). The W-ZB structural stability is discussed in terms of strain energy and electrostatic energy contributions. The calculated results imply that ionicity difference between thin film and substrate materials is crucial for understanding the W-ZB structural stability in heterostructures consisting of (0 0 0 1)-oriented W-structured and (1 1 1)-oriented ZB-structured semiconductors.
AB - Wurtzite (W)-zinc blende (ZB) structural stability of semiconductors is systematically investigated based on a newly developed empirical potential, which incorporates electrostatic energies due to bond charges and ionic charges. Using the empirical potential, the system energies are calculated for bulk and various heterostructures such as GaN(0 0 0 1)/GaAs(1 1 1) and GaN(0 0 0 1)/AlAs(1 1 1). The calculated results predict that W-structured GaN is more stable on AlAs(1 1 1) compared to that on GaAs(1 1 1). The W-ZB structural stability is discussed in terms of strain energy and electrostatic energy contributions. The calculated results imply that ionicity difference between thin film and substrate materials is crucial for understanding the W-ZB structural stability in heterostructures consisting of (0 0 0 1)-oriented W-structured and (1 1 1)-oriented ZB-structured semiconductors.
UR - http://www.scopus.com/inward/record.url?scp=0036467297&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0036467297&partnerID=8YFLogxK
U2 - 10.1016/S0022-0248(01)01902-9
DO - 10.1016/S0022-0248(01)01902-9
M3 - Article
AN - SCOPUS:0036467297
VL - 235
SP - 149
EP - 153
JO - Journal of Crystal Growth
JF - Journal of Crystal Growth
SN - 0022-0248
IS - 1-4
ER -