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Optimal atomic structure of amorphous silicon obtained from density functional theory calculations

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We thank G Barkema for fruitful discussions and for providing us with the CRN sample. The Poitou-Charentes Region is gratefully acknowledged for supporting a three month stay of A. Pedersen… Click to show full abstract

We thank G Barkema for fruitful discussions and for providing us with the CRN sample. The Poitou-Charentes Region is gratefully acknowledged for supporting a three month stay of A. Pedersen in France. Financial support was also provided by the Icelandic Research Fund. The computations were carried out using the Nordic High Performance Computing (NHPC) facility in Iceland.

Keywords: optimal atomic; atomic structure; obtained density; structure amorphous; amorphous silicon; silicon obtained

Journal Title: New Journal of Physics
Year Published: 2017

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