TY - JOUR
T1 - Interplay between order and disorder in the high performance of amorphous transparent conducting oxides
AU - Walsh, Aron
AU - Da Silva, Juarez L.F.
AU - Wei, Su Huai
PY - 2009/11/10
Y1 - 2009/11/10
N2 - We demonstrate, using first-principles calculations, that the exceptional behavior of amorphous transparent conducting oxides formed from In, Zn, Ga, and Al cations arises from the preservation of local crystal order in the cation centered polyhedra, which is maintained due to the strong charge transfer to oxygen. While tails of localized states may be created above the valence band, the highly delocalized conduction band remains unperturbed, offering effective n-type conduction despite the existence of long-range structural disorder. This is in direct contrast to the paradigm set by amorphous covalent semiconductors.
AB - We demonstrate, using first-principles calculations, that the exceptional behavior of amorphous transparent conducting oxides formed from In, Zn, Ga, and Al cations arises from the preservation of local crystal order in the cation centered polyhedra, which is maintained due to the strong charge transfer to oxygen. While tails of localized states may be created above the valence band, the highly delocalized conduction band remains unperturbed, offering effective n-type conduction despite the existence of long-range structural disorder. This is in direct contrast to the paradigm set by amorphous covalent semiconductors.
UR - http://www.scopus.com/inward/record.url?scp=72449195664&partnerID=8YFLogxK
U2 - 10.1021/cm9020113
DO - 10.1021/cm9020113
M3 - Article
AN - SCOPUS:72449195664
SN - 0897-4756
VL - 21
SP - 5119
EP - 5124
JO - Chemistry of Materials
JF - Chemistry of Materials
IS - 21
ER -