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Updated: Jan 26, 2026

Epitaxial Growth of Perovskite Strontium Titanate on Germanium via Atomic Layer Deposition
Published on: July 26, 2016
Structure, stability, and electronic properties of niobium-germanium and tantalum-germanium clusters
C Siouani1,2, S Mahtout3, F Rabilloud4
1Laboratoire de Physique Théorique, Faculté des Sciences Exactes, Université de Bejaia, 06000, Bejaia, Algeria.
Abstract:
The structural, electronic and magnetic properties of niobium- and tantalum-doped germanium clusters MGen (M = Nb, Ta and n = 1-19) were investigated by first principles calculations within the density functional theory (DFT) approach. Growth pattern behaviors, stabilities, and electronic properties are presented and discussed. Endohedral cage-like structures in which the metal atom is encapsulated are favored for n ≥ 10. The doping metal atom contributes largely to strengthening the stability of the germanium cage-like structures, with binding energy ordered as follows BE(Gen + 1) < BE (VGen) < BE(NbGen) < BE(TaGen). Our results highlight the relative high stability of NbGe15, TaGe15 and VGe14. Graphical abstract Structure, stability, and electronic properties of niobium-germanium and tantalum-germanium clusters.
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