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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…
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…
First principles study of the electronic and magnetic structures of the tetragonal and orthorhombic phases of Ca3Mn2O7
S. F. Matar, V. Eyert, A. Villesuzanne +1
On the basis of density functional theory electronic band structure calculations using the augmented spherical wave method, the electronic and magnetic properties of the orthorhomb…