Electronic structure and magnetism of diluted magnetic semiconductors - a first principles study
2005 (English)In: JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, ISSN 0304-8853, Vol. 290, 1408- p.Article in journal (Refereed) Published
We present first-principles electronic structure calculations within density functional theory using a plane-wave pseudopotential method for Mn-doped diluted magnetic semiconductors. In particular, we show here a comparative study of Mn-doped GaAs and GaN systems and conclude that the origin of ferromagnetic long-range order is different for the two cases. Finally, we show theoretical simulations of scanning tunelling microscope (STM) images in Mn-doped GaAs. The simulated images with Mn in second Ga layer from a GaAs(1 1 0) surface are in excellent agreement with the experimental images.
Place, publisher, year, edition, pages
2005. Vol. 290, 1408- p.
diluted magnetic semiconductor, Ab-initio, defect, STM
IdentifiersURN: urn:nbn:se:uu:diva-79851DOI: doi:10.1016/j.jmmm.2004.11.451OAI: oai:DiVA.org:uu-79851DiVA: diva2:107765