Regensburg 2004 – wissenschaftliches Programm

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O: Oberflächenphysik

O 28: Postersitzung (Elektronische Struktur, Grenzfläche fest-flüssig, Halbleiteroberflächen und -grenzflächen, Magnetismus und Symposium SYXM, Methodisches, Nanostrukturen, Oberflächenreaktionen, Teilchen und Cluster, Zeitaufgelöste Spektroskopie)

O 28.22: Poster

Mittwoch, 10. März 2004, 16:00–19:00, Bereich C

Structural, electronic and spin properties of In nanowires on Si(111) surface — •Xóchitl López^1,2, Anna Krivosheeva¹, Friedhelm Bechstedt¹, Jürgen Furtmüller¹, and Andrey Stekolnikov¹ — ¹Institut für Festkörpertheorie und Theoretische Optik, FSU Jena, Max-Wien-Platz 1, 07743 Jena — ²Instituto de Física, Universidad Autónoma de Puebla, Apartado Postal J-48, Puebla 72570, México

In the last years the electronic and structural properties of the indium-induced (4×1), (4×2) and (8×2) surface reconstructions on Si(111) have been intensively studied due to the potential applications on novel optoelectronics devices. In this work the electronic structure calculations are performed using density functional theory in the generalized-gradient approximation and ultrasoft pseudopotentials. The atomic positions were taken from a previous calculations [1], which are consistent with experimental data. The electronic band structures with and without spin polarization are calculated and discussed with respect to the metallic/insulating character of the chains. Because the spin density distribution on these systems might be important for their electronic properties, we study the influence of the spin polarization on the atomic structure and electronic states of the In nanowires on Si(111). Several initial spin configurations are taken into account for all the surface reconstructions in order to observe a magnetic ordering. We acknowledge the partial financial support from CONACyT grants No.36651-E and 36764-E. [1] F. Bechstedt et al., Phys Rev B 68, 1934XX (2003).