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cond-mat.mtrl-sci2008
Treatment of a semi-metal to metal structural phase transition: convergence properties of the A7 to sc transition of arsenic
Patricia Silas, Jonathan R. Yates, Peter D. Haynes
The material presented here is supplementary to the article entitled: "Density-functional investigation of the rhombohedral to simple cubic phase transition of arsenic"; it deals w…
cond-mat.mtrl-sci2008★ 29 cited
Density-functional investigation of the rhombohedral to simple cubic phase transition of arsenic
Patricia Silas, Jonathan R. Yates, Peter D. Haynes
We report on our investigation of the crystal structure of arsenic under compression, focusing primarily on the pressure-induced A7 to simple cubic (sc) phase transition. The two-a…