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cond-mat.mtrl-sci2009
Stability and magnetic properties of Mn-substituted ScN from first principles
Abdesalem Houari, Samir. F. Matar, Mohamed A. Belkhir
We present a spin density functional theory (DFT) study for semiconducting ScN and Mn-substituted ScN. Their structural and magnetic properties have been investigated using the all…
cond-mat.mtrl-sci2009
Structural stability and magnetism of FeN from first principles
A. Houari, S. F. Matar, M. A. Belkhir +1
In the framework of density functional theory (DFT), the structural and magnetic properties of FeN mono nitride have been investigated using the all electrons augmented spherical w…