Size-dependent induced magnetism in carbon-doped ZnO nanostructures

作者：Kwak Hyunwook^*; Chelikowsky James R

来源：Applied Physics Letters, 2009, 95(26): 263108.

DOI：10.1063/1.3279156

• ab initio calculations
• carbon
• electronic structure
• exchange interactions (electron)
• ferromagnetic materials
• II-VI semiconductors
• magnetic semiconductors
• nanowires
• pseudopotential methods
• wide band gap semiconductors
• zinc compounds

We examine the role of quantum confinement on carbon doped ZnO nanocrystals and nanowires using first-principles real-space pseudopotential method. For these nanocrystals, we find carbon dopants become magnetic under confinement. Moreover, by examining dopant-dopant interactions in ZnO nanowires, we find the ferromagnetic exchange interactions to be strongly enhanced at the nanoscale. Our work offers strong theoretical evidence for nanoscale induced magnetism and direct exchange coupling interactions arising from "nonmagnetic dopants.".

• 出版日期2009-12-28