Structures of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Ge</mml:mi></mml:mrow><mml:mrow><mml:mi>n</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>clusters<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mi>n</mml:mi><mml:mo>=</mml:mo><mml:mn>3</mml:mn><mml:mn/><mml:mo>–</mml:mo><mml:mn>1</mml:mn><mml:mn>0</mml:mn><mml:mo>)</mml:mo></mml:math>and comparisons to<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Si</mml:mi></mml:mrow><mml:mrow><mml:mi>n</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>clusters

200061 citationsJournal Article

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Abstract

Full-potential linear muffin-tin orbital molecular-dynamics calculations have been performed to investigate the structures and energies of small ${\mathrm{Ge}}_{n}(n=3--10)$ clusters. To make a comparison between ${\mathrm{Ge}}_{n}$ and ${\mathrm{Si}}_{n},$ we have also investigated the structures and energies of ${\mathrm{Si}}_{n}(n=3--10)$ clusters. It is found that there is much in common between them. Their ground-state structures are about the same except for $n=8$ and $n=10.$ The potential barrier heights between some important structures have also been presented.

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Advanced Chemical Physics Studies Phase-change materials and chalcogenides Crystal Structures and Properties

Publication Details

Published in: Physical review. B, Condensed matter

Volume 62, Issue 23, pp. 15788-15796

DOI: 10.1103/physrevb.62.15788

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