Abstract
Structures and electronic states of Mg incorporated into InN surfaces in various orientations including nonpolar (10 1 0) and (11 2 0) as well as polar (0001) and (000 1) surfaces are systematically investigated by performing first-principles pseudopotential calculations. Employing a thermodynamic approach, the calculated surface energies demonstrate characteristic features in the stability of Mg-incorporated surfaces depending on the growth condition. The calculated density of states also predict that regardless of surface orientation, Mg acceptors at the surface are compensated by the extra electrons originating from the surface states of In layers in bare surfaces.
| Original language | English |
|---|---|
| Article number | 075316 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 80 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - Aug 24 2009 |
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ASJC Scopus subject areas
- Condensed Matter Physics
- Electronic, Optical and Magnetic Materials
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Structures and electronic states of Mg incorporated into InN surfaces : First-principles pseudopotential calculations. / Akiyama, Toru; Nakamura, Kohji; Ito, Tomonori; Song, Jung Hwan; Freeman, Arthur J.
In: Physical Review B - Condensed Matter and Materials Physics, Vol. 80, No. 7, 075316, 24.08.2009.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Structures and electronic states of Mg incorporated into InN surfaces
T2 - First-principles pseudopotential calculations
AU - Akiyama, Toru
AU - Nakamura, Kohji
AU - Ito, Tomonori
AU - Song, Jung Hwan
AU - Freeman, Arthur J
PY - 2009/8/24
Y1 - 2009/8/24
N2 - Structures and electronic states of Mg incorporated into InN surfaces in various orientations including nonpolar (10 1 0) and (11 2 0) as well as polar (0001) and (000 1) surfaces are systematically investigated by performing first-principles pseudopotential calculations. Employing a thermodynamic approach, the calculated surface energies demonstrate characteristic features in the stability of Mg-incorporated surfaces depending on the growth condition. The calculated density of states also predict that regardless of surface orientation, Mg acceptors at the surface are compensated by the extra electrons originating from the surface states of In layers in bare surfaces.
AB - Structures and electronic states of Mg incorporated into InN surfaces in various orientations including nonpolar (10 1 0) and (11 2 0) as well as polar (0001) and (000 1) surfaces are systematically investigated by performing first-principles pseudopotential calculations. Employing a thermodynamic approach, the calculated surface energies demonstrate characteristic features in the stability of Mg-incorporated surfaces depending on the growth condition. The calculated density of states also predict that regardless of surface orientation, Mg acceptors at the surface are compensated by the extra electrons originating from the surface states of In layers in bare surfaces.
UR - http://www.scopus.com/inward/record.url?scp=70249129105&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=70249129105&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.80.075316
DO - 10.1103/PhysRevB.80.075316
M3 - Article
AN - SCOPUS:70249129105
VL - 80
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 7
M1 - 075316
ER -