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Optical properties of germanium dioxide in the rutile structure

Sahnoun, M. ; Daul, C. ; Khenata, R. ; Baltache, H.

In: The European Physical Journal B - Condensed Matter and Complex Systems, 2005, vol. 45, no. 4, p. 455-458

Ab initio study of structural, electronic, elastic and high pressure properties of barium chalcogenides

Bouhemadou, A. ; Khenata, R. ; Zegrar, F. ; Sahnoun, Mohammed ; Baltache, H. ; Resha, A. H.

In: Computational Materials Science, 2006, vol. 38, no. 2, p. 263-270

Optical properties of germanium dioxide in the rutile structure

Sahnoun, Mohammed ; Daul, Claude A. ; Khenata, R. ; Baltache, H.

In: The European Physical Journal B, 2005, vol. 45, no. 4, p. 455-458

We present first-principles calculations for the optical properties of germanium dioxide in the rutile structure. The electronic band structure has been calculated self-consistently within the local density approximation using the full-potential linearized augmented plane wave method. The electronic band structure shows that the fundamental energy gap is direct at the center of the Brillouin...

Full potential calculation of structural, electronic and optical properties of KMgF₃

Sahnoun, Mohammed ; Zbiri, Mohamed ; Daul, Claude A. ; Khenata, R. ; Baltache, H. ; Driz, M.

In: Materials Chemistry and Physics, 2005, vol. 91(1), p. 185-191

A theoretical study of the structural, electronic and optical properties of KMgF₃ is presented using the full-potential linearized augmented plane wave method (FP-LAPW). In this approach, the local density approximation was used for the exchange-correlation potentials. First, we present the main features of the structural and electronic properties of this compound, where the electronic band...