Intrinsic defects and transition metal impurities in GaAs

• Thermodynamics of intrinsic point defects, 3d-transition metal (TM) impurities, and various defect pairs in GaAs have been studied by means of the locally self-consistent Green's function method. Antisite defects, As-Ga, are found to be the most energetically favorable defects in the As-rich GaAs. The studied TM impurities (V, Cr, Mn, and Fe) are found to form substitutional alloys on the Ga sublattice. The magnetic moments of TM impurities in the GaAs host are calculated under the assumption that orbital moments of TM are quenched and the total magnetization is due to spill ordering of electrons in the crystal. Thermodynamic possibility of formation of complexes between TM-atoms is investigated.

Subject headings

TEKNIK OCH TEKNOLOGIER  -- Materialteknik -- Annan materialteknik (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Materials Engineering -- Other Materials Engineering (hsv//eng)

NATURVETENSKAP  -- Kemi -- Fysikalisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Physical Chemistry (hsv//eng)

Keyword

defects

magnetism

semiconductors

Other materials science

Övrig teknisk materialvetenskap

Publication and Content Type

ref (subject category)

art (subject category)