TY - JOUR
T1 - Oxygen DX center in In0.17Al0.83N
T2 - Nonradiative recombination and persistent photoconductivity
AU - Meli, Rocco
AU - Miceli, Giacomo
AU - Pasquarello, Alfredo
PY - 2018/2/13
Y1 - 2018/2/13
N2 - Using a hybrid density-functional scheme, we address the O impurity substitutional to N (ON) in In0.17Al0.83N. Our modelling supports In clustering to account for the strong band-gap bowing observed in InxAl1−xN alloys. To study the ON defect in In0.17Al0.83N alloys, we therefore consider a model containing an In cluster and find that the most stable configuration shows four In nearest neighbors. We show that such a ON defect forms a DX center and gives rise to two defect levels at 0.70 and 0.41 eV below the conduction band edge, in good agreement with experiment. The calculated defect energetics entail a fast nonradiative recombination upon photoexcitation at room temperature and account for the observation of persistent photoconductivity at low temperature.
AB - Using a hybrid density-functional scheme, we address the O impurity substitutional to N (ON) in In0.17Al0.83N. Our modelling supports In clustering to account for the strong band-gap bowing observed in InxAl1−xN alloys. To study the ON defect in In0.17Al0.83N alloys, we therefore consider a model containing an In cluster and find that the most stable configuration shows four In nearest neighbors. We show that such a ON defect forms a DX center and gives rise to two defect levels at 0.70 and 0.41 eV below the conduction band edge, in good agreement with experiment. The calculated defect energetics entail a fast nonradiative recombination upon photoexcitation at room temperature and account for the observation of persistent photoconductivity at low temperature.
UR - http://www.scopus.com/inward/record.url?scp=85012916970&partnerID=8YFLogxK
U2 - 10.1063/1.4975934
DO - 10.1063/1.4975934
M3 - Article (Academic Journal)
AN - SCOPUS:85012916970
SN - 0003-6951
VL - 110
JO - Applied Physics Letters
JF - Applied Physics Letters
IS - 7
M1 - 072101
ER -