Mn clusterisation in Ga1-xMnxN
D. Wang, X. Y. Zhang, J. Wang, S. Q. Wei, W. S. Yan, and D. W., Boukhvalov
TL;DR
This study investigates the local structure of Mn atoms in Ga1-xMnxN using X-ray absorption spectroscopy and modeling, revealing Mn micro-clusters at higher doping levels, supported by total energy calculations.
Contribution
It introduces a new micro-cluster configuration of Mn atoms in Ga1-xMnxN and confirms it through experimental and computational methods.
Findings
Identification of Mn5 micro-clusters with substitutional and interstitial Mn
Confirmation of cluster configuration by total energy calculations
Surface-sensitive XAS reveals local Mn structure
Abstract
Local structure of Mn atoms in Ga1-xMnxN has been investigated by the Mn L3 edge x-ray absorption spectrum (XAS) at total electron yield mode, which preferentially looks at atoms near the surface. A modeling defects configuration, the Mn5 micro-clusters complexed with substitutional MnGa and interstitial MnI is found for the higher Mn doping concentration. This new configuration is also confirmed by the total energy calculations.
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