Electronic Structure of Phosphorus under
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A. Nishikawa; K. Niizeki; K. Shindo
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Article
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2001
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John Wiley and Sons
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English
โ 165 KB
๐ 2 views
We have performed band structure calculations of high pressure phases of phosphorus within the local-density-functional formalism and the norm-conserving pseudopotential method. The structural stability of the simple hexagonal phase of phosphorus has been studied, and the calculated transition press