First-Principle Calculation of The Effective Hamiltonian for (Ga,Mn)As and (Ga,Mn)N

ORAL

Abstract

Most of the models used to study (Ga,Mn)As have failed to explain the experimental results of (Ga,Mn)N especially its ferromagnetic critical temperature $T_c$. The need for a consistent and comprehensive model for the dilute magnetic semiconductors (DMS) motivates our study. We obtain the effective Hamiltonian for (Ga,Mn)As and (Ga,Mn)N using a Wannier function based first-principles method. We use density functional theory to calculate the band structure of a range of disordered supercell configurations of (Ga,Mn)As and (Ga,Mn)N and Wannier functions to obtain downfolded Hamiltonians. Those are then disorder averaged to get an effective Hamiltonian. We solved this effective model using the dynamical mean field approximation.

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Authors

  • Ryky Nelson

    Louisiana State University

  • Anh Ngo

    Ohio U, Louisiana State University

  • Wei Ku

    Brookhaven National Laboratory/ Stony Brook University, Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York, 11973, USA, Brookhaven National Laboratory, CMPMSD, Brookhaven National Laboratory

  • Juana Moreno

    Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803, USA, Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA 70803, USA, Louisiana State University, Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA, Department of Physics and Astronomy, Louisiana State University, Department of Physics \& Astronomy, Louisiana State University

  • Mark Jarrell

    Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803, USA, Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA 70803, USA, Louisiana State University, Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA, Louisiana State University (LSU), Department of Physics and Astronomy, Louisiana State University, Department of Physics \& Astronomy, Louisiana State University