Condensed-Matter Physics & Materials Science Seminar

"Large-Scale Monte Carlo Study of a Realistic Lattice Model for Ga_(1-x}Mn_xAs and Other Lightly Magnetically Doped Semiconductors"

Presented by Yucel Yildirim, BNL

Thursday, August 30, 2007, 1:30 pm — Small seminar room, Bldg. 510

The properties of Mn-doped GaAs are studied at several doping levels and hole
compensations, using a real-space Hamiltonian on an fcc lattice that reproduces
the valence bands of undoped GaAs. Large-scale Monte Carlo (MC) simulations on
a Cray XT3 supercomputer, using up to a thousand nodes, were needed to make
this effort possible. Our analysis considers the spin-orbit interaction
and the random distribution of the Mn ions as well as Coulomb interactions. The hopping amplitudes are
functions of the GaAs Luttinger parameters. At the coupling J~1.2eV deduced
from photoemission experiments, the MC Curie temperature and the shape of the
magnetization curves are in agreement with experimental results for annealed
samples. Although there are sizable differences with mean-field predictions,
the system is found to be closer to a hole-fluid regime than to localized
carriers. Its suitability to study Mn doped GaN and GaP is discussed.

Hosted by: Wei Ku

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