Electronic structure of the BiSI cluster

The energy levels of valence bands (VB) and core levels (CL) of the BiSI crystals have been investigated theoretically. The molecular model of this crystal was used for calculation of VB and CL by the unrestricted Hartree–Fock method using GAMESS program, with Hw and MINI basis set. The molecular cl...

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Veröffentlicht in:	Physica. B, Condensed matter Condensed matter, 2007-03, Vol.391 (1), p.22-27
Hauptverfasser:	Audzijonis, A., Gaigalas, G., Žigas, L., Pauliukas, A., Žaltauskas, R., Čerškus, A., Narušis, J., Kvedaravičius, A.
Format:	Artikel
Sprache:	eng
Schlagworte:	BiSI Condensed matter: electronic structure, electrical, magnetic, and optical properties Electronic band structure Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals Exact sciences and technology Molecular cluster Physics Total density
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