A. Alcantara, S. Barrett, D. Matev, I. Miotkowski, A.K. Ramdas, T. Pekarek, J.T. Haraldsen
Dr. Jason Haraldsen | College of Arts and Sciences | Department of Physics
To understand the spin-glass state of diluted magnetic semi-conductors, we have examined the magnetic properties of Zn1-xMnxTe using density functional theory and magnetization measurements. Utilizing the generalized gradient approximation, we investigate the dependence of the Hubbard onsite potential on the magnetization and electronic structure. We find that the ground state magnetic preference is antiferromagnetic and that the onsite potential is needed to harden the magnetic moment of S = 5/2. Furthermore, the system is clearly semi-conducting, which suggests that the spin-glass nature of the compound is produced through the magnetic exchange interactions through the p- and d-orbital hybridization.