Ab Initio Calculation of Electronic Structure and Magnetic Properties of Rare Earth Nitride Using LDA+U Approach: EuN and GaEuN

Abstract:

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Electronic and magnetic properties of the rare earth nitride EuN and Ga1-xEuxN (x = 0.0625) are studied with the full potential (linearized) augmented plane wave method plus local orbitals method. In this work we start our investigations by studying EuN using LDA and LDA+U. We will show the impact of LDA+U on the electronic properties. For Ga1-xEuxN we will present only the results related to the LDA+U method. It's found from the calculation of density of states (DOS) that the Eu-4f orbitals spin-polarize the host system and they are predominant in this diluted magnetic semi-conductor. The magnetic description is achieved by the calculation of spin densities difference contours and the magnetic moment.

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Periodical:

Edited by:

N.Gabouze

Pages:

167-172

DOI:

10.4028/www.scientific.net/MSF.609.167

Citation:

N. Kanoun-Bouayed et al., "Ab Initio Calculation of Electronic Structure and Magnetic Properties of Rare Earth Nitride Using LDA+U Approach: EuN and GaEuN", Materials Science Forum, Vol. 609, pp. 167-172, 2009

Online since:

January 2009

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$35.00

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