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First‐principles calculations on magnetism and exchange interactions in GaMnAs and GaMnAsP

First published: 10 July 2017


Abstract


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 of urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0053 and urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0054. 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 in urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0055 doped with a small content of P atoms (6.25% atomic percent) compared to the undoped alloy urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0056. Low exchange interaction constants, N0β, and urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0057 and low exchange splitting, urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0058 are observed in urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0059. The total magnetic moment calculated for urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0060 is mainly attributed to the Mn atom, whereas the contributions from Ga, As, and P are minimal. The difference between the magnetic properties of urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0061 and urn:x-wiley:14381656:media:pssb201700115:pssb201700115-math-0062 is also discussed.


https://sci-hub.tw/https://onlinelibrary.wiley.com/doi/abs/10.1002/pssb.201700115

  




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