Electronic structure of zinc-blende MnTe within the GW approximation

Details Electronic structure of zinc-blende MnTe within the GW approximation Electronic structure of zinc-blende MnTe within the GW approximation

2007-04-30

arxiv.org/abs/0704.3967v1

Physics

Condensed Matter

Strongly Correlated Electrons

9 pages, accepted for publication in pssc (special issue on II-VI semiconductors)

Scientific paper

Using the local spin-density approximation (LSDA) and the (non self-consistent) GW approach, the (quasi-particle) band structure is calculated for MnTe in zinc-blende geometry. Different parameters characterizing the electronic structure are computed for an antiferromagnetic and the ferromagnetic phase and compared with the experiment. The strong Hubbard-type repulsion on the Mn-3d orbitals and the p-d hybridization are seen to be responsible for substantial defects found in the LSDA picture. It is discussed to which extent these can be improved upon by means of the GW approach.

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