Manganese Impurity in Boron Nitride and Gallium Nitride

Lucy V.C. Assali; W.V.M. Machado; João F. Justo

doi:10.4028/www.scientific.net/MSF.483-485.1047

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HomeMaterials Science ForumMaterials Science Forum Vols. 483-485Manganese Impurity in Boron Nitride and Gallium...

Manganese Impurity in Boron Nitride and Gallium Nitride

Abstract:

We carried out a theoretical investigation on the properties of manganese impurity centers in cubic boron and gallium nitrides. The calculations were performed using the all electron spin-polarized full-potential linearized augmented plane wave methodology. Our results indicate that manganese in boron nitride, in a neutral charge state, is energetically more favorable in a divacancy site as compared to a substitutional cation site. We present the results on stability, spin states, impurity magnetic moment, hyperfine parameters, and formation and transition energies of manganese at the divacancy site in several charge states.

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Periodical:

Materials Science Forum (Volumes 483-485)

Pages:

1047-1050

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.483-485.1047

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Online since:

May 2005

Authors:

Lucy V.C. Assali, W.V.M. Machado, João F. Justo

Keywords:

Ab Initio Methods, Magnetic Impurities, Manganese

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