Structural and electronic properties of hydrogen and interstitial Mn complexes in MnxGa1-xAs dilute magnetic semiconductors

摘要

The properties of hydrogenated MnxGa1-xAs (x=0.03) dilute magnetic semiconductor were investigated in a previous study which has shown the importance of electron correlation on the structure and the vibrational properties of complexes formed by H and substitutional Mn. In the present paper, we extend that study to the structural and electronic properties of complexes formed by H with interstitial Mn in the same DMS, We find that H does not bind directly to interstitial Mn. This is an important result in view of a possible discrimination of the different forms of Mn based on the H local vibrational modes.