Structural and Magnetic Properties of Mn-Based Diluted Magnetic Semiconductors and Alloys | Zendy

Ahmad Alsaad | Zendy

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Structural and Magnetic Properties of Mn-Based Diluted Magnetic Semiconductors and Alloys

Author(s) -

Ahmad Alsaad

Publication year - 2009

Publication title -

research letters in physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.136

H-Index - 13

eISSN - 1687-6903

pISSN - 1687-689X

DOI - 10.1155/2009/406095

Subject(s) - condensed matter physics , supercell , isostructural , hydrostatic pressure , magnetic semiconductor , tetragonal crystal system , band gap , phase (matter) , materials science , chemistry , thermodynamics , doping , crystallography , crystal structure , physics , thunderstorm , organic chemistry , meteorology

Direct supercell approach calculations of the magnetic exchange interactions in Mn-doped ScN was carried out in the local spin density approximation by using the muffin-tin-orbital Green's functionmethod. We found that magnetic interactions are long range interactions and affected by the randomness,band gap corrections, and carrier concentrations. Using total energy minimization approach we found thatthe global energy minimum of MnN is obtained for zinc-blende structure. If the compound is compressedby 6%, the energy minimum corresponds to the rock-salt structure in disagreement with theexperimentally observed tetragonal distorted rock-salt structure, known as -phase. An isostructural phase transition for MnxSc1-xN alloys from MnN -phase to ℎ-ScN phase was found to occur at a hydrostatic pressure of 18 GPa. We predict above room temperature for Mn concentrations of about 10% in ScN : Mn system

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