Theory of Hydrogen Complexes in MnxGa1-xAs Dilute Magnetic Semiconductors

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Autore principale: P. Giannozzi
Natura: Artículo científico
Lingua:en
Pubblicazione: Sociedade Brasileira de Física 2006
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author P. Giannozzi
author_facet P. Giannozzi
contents Theory of Hydrogen Complexes in MnxGa1-xAs Dilute Magnetic Semiconductors P. Giannozzi F. Filippone A. Amore Bonapasta Física, Astronomía y Matemáticas LDA+U Dilute magnetic semiconductor Hydrogen Complexes in MnxGa1¡xAs Atomic hydrogen diffuses in semiconductor lattices and binds to impurities by forming complexes that canlead to a full neutralization of the impurity effects. In the present paper, the structural, vibrational, electronicand magnetic properties of complexes formed by H in the MnxGa1¡xAs (x=0.03) dilute magnetic semiconductorhave been investigated by using first-principles DFT-LSD and LDA+U theoretical methods. The results accountfor recent experimental findings showing a H passivation of the electronic and magnetic properties of Mn inGaAs. Moreover, they show that electron correlation has crucial effects on the properties of H-Mn complexes. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436302 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.36
format Artículo científico
id redalyc_46436302
institution Redalyc
language en
publishDate 2006
publisher Sociedade Brasileira de Física
spellingShingle Theory of Hydrogen Complexes in MnxGa1-xAs Dilute Magnetic Semiconductors
P. Giannozzi
Física, Astronomía y Matemáticas
LDA+U
Dilute magnetic semiconductor
Hydrogen Complexes in MnxGa1¡xAs
Theory of Hydrogen Complexes in MnxGa1-xAs Dilute Magnetic Semiconductors P. Giannozzi F. Filippone A. Amore Bonapasta Física, Astronomía y Matemáticas LDA+U Dilute magnetic semiconductor Hydrogen Complexes in MnxGa1¡xAs Atomic hydrogen diffuses in semiconductor lattices and binds to impurities by forming complexes that canlead to a full neutralization of the impurity effects. In the present paper, the structural, vibrational, electronicand magnetic properties of complexes formed by H in the MnxGa1¡xAs (x=0.03) dilute magnetic semiconductorhave been investigated by using first-principles DFT-LSD and LDA+U theoretical methods. The results accountfor recent experimental findings showing a H passivation of the electronic and magnetic properties of Mn inGaAs. Moreover, they show that electron correlation has crucial effects on the properties of H-Mn complexes. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436302 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.36
title Theory of Hydrogen Complexes in MnxGa1-xAs Dilute Magnetic Semiconductors
topic Física, Astronomía y Matemáticas
LDA+U
Dilute magnetic semiconductor
Hydrogen Complexes in MnxGa1¡xAs
url https://www.redalyc.org/articulo.oa?id=46436302