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• W1989843650 abstract "Results of an all-electron density functional theory study of structural and electronic properties of ${mathrm{As}}_{n}$ clusters in the size range $nensuremath{leqslant}28$ are presented and discussed. The atomization energies for most even-sized ${mathrm{As}}_{n}$ $(nensuremath{geqslant}8)$ clusters with closed-shell electronic configurations are higher than that of ${mathrm{As}}_{4}$, indicating their relative stability upon dissociation into ${mathrm{As}}_{4}$ fragments. Similar to ${mathrm{P}}_{n}$ clusters, supercluster structures based on ${mathrm{As}}_{4}$, ${mathrm{As}}_{6}$, ${mathrm{As}}_{8}$ units and ${mathrm{As}}_{2}$ bridge were found to be dominant for the larger ${mathrm{As}}_{n}$ with $nensuremath{geqslant}14$. The size-dependent physical properties of clusters such as atomization energies, ionization potentials, and molecular orbital gaps have been discussed." @default.
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• W1989843650 date "2006-03-20" @default.
• W1989843650 modified "2023-10-16" @default.
• W1989843650 title "Density-functional study of small and medium-sized<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mi mathvariant=normal>As</mml:mi><mml:mi>n</mml:mi></mml:msub></mml:math>clusters up to<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi>n</mml:mi><mml:mo>=</mml:mo><mml:mn>28</mml:mn></mml:mrow></mml:math>" @default.
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• W1989843650 doi "https://doi.org/10.1103/physrevb.73.115418" @default.
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