Berlin 2015 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 21: Poster IB (Oxide semiconductors; II-VI and group IV semiconductors; Nanotubes and Buckyballs)

HL 21.6: Poster

Montag, 16. März 2015, 15:00–20:00, Poster B

Ab-initio Electronic Structure of Different Tin Oxides — •Bianca Eifert and Christian Heiliger — I. Physikalisches Institut, Justus Liebig University Giessen, D-35392, Germany

Tin forms two stable oxides, a monoxide and a dioxide, which are already used in application fields ranging from electrochemistry to optoelectronics. Tin dioxide (SnO₂) is a wide-bandgap n-type semiconductor, while tin monoxide (SnO) is usually regarded as a semimetal or a small-bandgap p-type semiconductor. At higher temperatures, SnO disproportionates into Sn and SnO₂, and oxides of other stoichiometries are sometimes observed in experiments during this reaction. This variety of oxide phases with very different electronic properties makes the tin/oxygen system an interesting candidate for electronic components such as p/n junctions, which could be constructed from just two types of atoms. The present work contributes to the theoretical understanding of different tin oxides phases, their stability, and their electronic and optical properties by performing DFT calculations of the structural properties, bandstructures, and Raman spectra of these phases.