First-principles calculations on magnetism and exchange interactions in GaMnAs and GaMnAsP.

التفاصيل البيبلوغرافية
العنوان:	First-principles calculations on magnetism and exchange interactions in GaMnAs and GaMnAsP.
المؤلفون:	Ouerghui, W., Abdallah, H. Ben, Saad, K. Ben
المصدر:	Physica Status Solidi (B); Oct2017, Vol. 254 Issue 10, p1-7, 7p
مصطلحات موضوعية:	EXCHANGE interactions (Magnetism), ELECTRONIC band structure, FERROMAGNETIC materials, DENSITY functional theory, ANTIFERROMAGNETIC materials
مستخلص:	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, N0β, and JMn-Mn; and low exchange splitting, Δxpd; are observed in Ga1-xMnxAs1-yPy. The total magnetic moment calculated for Ga1-xMnxAs 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. [ABSTRACT FROM AUTHOR]
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قاعدة البيانات:	Complementary Index

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