Electronic structure of Diluted Magnetic Semiconductors $Ga_{1-x}Mn_{x}N$ and $Ga_{1-x}Cr_{x}N$

Details Electronic structure of Diluted Magnetic Semiconductors $Ga_{1-x}Mn_{x}N$ and $Ga_{1-x}Cr_{x}N$ Electronic structure of Diluted Magnetic Semiconductors $Ga_{1-x}Mn_{x}N$ and $Ga_{1-x}Cr_{x}N$

2006-06-02

arxiv.org/abs/cond-mat/0606061v1

Physics

Condensed Matter

Materials Science

12 pages, 14 figures, 2 tables

Scientific paper

10.1088/0953-8984/18/40/010

We have undertaken a study of diluted magnetic semiconductors $Ga_{1-x}Mn_{x}N$ and $Ga_{1-x}Cr_{x}N$ with $x=0.0625, 0.125$, using the all electron linearized augmented plane wave method (LAPW) for different configurations of Mn as well as Cr. We study four possible configurations of the impurity in the wurtzite GaN structure to predict energetically most favorable structure within the 32 atom supercell and conclude that the near-neighbor configuration has the lowest energy. We have also analyzed the ferro-magnetic as well as anti-ferromagnetic configurations of the impurity atoms. The density of states as well as bandstructure indicate half metallic state for all the systems. $T_c$ has also been estimated for the above systems.

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