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First‐principles calculations on magnetism and exchange interactions in GaMnAs and GaMnAsP
Author(s) -
Ouerghui W.,
Abdallah H. Ben,
Saad K. Ben
Publication year - 2017
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201700115
Subject(s) - magnetism , condensed matter physics , magnetic moment , magnetic semiconductor , atom (system on chip) , plane wave , exchange interaction , electronic structure , doping , chemistry , density of states , band gap , electronic band structure , ferromagnetism , physics , quantum mechanics , computer science , embedded system
Based on first principles calculations using a full potential linearized augmented plane wave (FP‐LAPW) method in the local spin density approximation (LSDA) we calculated the electronic and magnetic properties ofGa 1 − xMn x As andGa 1 − xMn x As 1 − yP y. The calculated electronic band structure and density of states of both diluted magnetic semiconductors (DMSs) are discussed. These results show a reduction in energy band gap inGa 1 − xMn x As doped with a small content of P atoms (6.25% atomic percent) compared to the undoped alloyGa 1 − xMn x As . Low exchange interaction constants, N 0 β , andJ Mn − Mn , and low exchange splitting,Δ x p d , are observed inGa 1 − xMn x As 1 − yP y . The total magnetic moment calculated forGa 1 − xMn x As 1 − yP yis mainly attributed to the Mn atom, whereas the contributions from Ga, As, and P are minimal. The difference between the magnetic properties ofGa 1 − xMn x As andGa 1 − xMn x As 1 − yP y is also discussed.