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- W1991034745 abstract "Full-potential linear muffin-tin orbital molecular dynamics calculations have been performed to investigate the structures and energies of ${mathrm{Al}}_{2}{mathrm{N}}_{3}$ and ${mathrm{Al}}_{3}{mathrm{N}}_{2}$ clusters. Nine stable structures for ${mathrm{Al}}_{2}{mathrm{N}}_{3}$ and ${mathrm{Al}}_{3}{mathrm{N}}_{2}$ clusters have been obtained, respectively. For having a sufficiently high probability of finding the global minimum-energy (the ground-state) structure, the number of initial structures are as large as possible. The ground-state structures for ${mathrm{Al}}_{2}{mathrm{N}}_{3}$ and ${mathrm{Al}}_{3}{mathrm{N}}_{2}$ are planar structures with ${C}_{1}$ symmetry. We found that the ground-state structures for ${mathrm{Al}}_{2}{mathrm{N}}_{3}$ and ${mathrm{Al}}_{3}{mathrm{N}}_{2}$ clusters presented metallic properties through the calculations of the density of states." @default.
- W1991034745 created "2016-06-24" @default.
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- W1991034745 date "2002-07-19" @default.
- W1991034745 modified "2023-10-09" @default.
- W1991034745 title "Stable 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>Al</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>N</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml…" @default.
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- W1991034745 doi "https://doi.org/10.1103/physrevb.66.033406" @default.
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