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 Ga1-xMnxAs and Ga1-xMnxAs1-yPy. 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 Ga1-xMnxAs doped with a small content of P atoms (6.25% atomic percent) compared to the undoped alloy Ga1-xMnxAs. Low exchange interaction constants, N-0, and JMn-Mn, and low exchange splitting, xpd, are observed in Ga1-xMnxAs1-yPy. The total magnetic moment calculated for Ga1-xMnxAs1-yPy is mainly attributed to the Mn atom, whereas the contributions from Ga, As, and P are minimal. The difference between the magnetic properties of Ga1-xMnxAs and Ga1-xMnxAs1-yPy is also discussed. (C) 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim