4 papers
Structural, electronic, and optical properties of periodic graphene/h-BN van der Waals heterostructures
Wahib Aggoune, Caterina Cocchi, Dmitrii Nabok +3
The emerging interest in van der Waals heterostructures as new materials for opto-electronics and photonics poses questions about their stability and structure-property relations.…
Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride
Wahib Aggoune, Caterina Cocchi, Dmitrii Nabok +3
With the example of hexagonal boron nitride, we demonstrate how the character of electron-hole (e-h) pairs in van der Waals bound low-dimensional systems is driven by layer stackin…
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…