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Electronic structure and magnetism of diluted magnetic semiconductors - a first principles study
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Theoretical Magnetism. Theoretical Magnetism.
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Theoretical Magnetism. Condensed Matter Theory.
2005 (English)In: JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, ISSN 0304-8853, Vol. 290, 1408- p.Article in journal (Refereed) Published
Abstract [en]

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.
Keyword [en]
diluted magnetic semiconductor, Ab-initio, defect, STM
Identifiers
URN: urn:nbn:se:uu:diva-79851DOI: doi:10.1016/j.jmmm.2004.11.451OAI: oai:DiVA.org:uu-79851DiVA: diva2:107765
Available from: 2006-04-13 Created: 2006-04-13 Last updated: 2017-01-25

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Publisher's full texthttp://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TJJ-4F1J580-5&_user=651519&_handle=V-WA-A-W-WAU-MsSAYWW-UUA-U-AAVDCUDUZZ-AAVCUYDYZZ-DEDVAUVYE-WAU-U&_fmt=full&_coverDate=04%2F30%2F2005&_rdoc=160&_orig=browse&_srch=%23toc%235312%232005%23997099999.7997%23586574!&_cdi=5312&view=c&_acct=C000035158&_version=1&_urlVersion=0&_userid=651519&md5=91c6a5ca007c8f318a6f6d3ebd71cef0

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Sanyal, BiplabMirbt, Susanne

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