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We present calculation of the high pressure crystal structures in selenium,including rational approximants to the recently reported incommensurate phases.We show how the incommensurate phases can be intuitively explained in terms ofimaginary phonon frequencies arising from Kohn anomalies in the putativeundistorted phase. We also find inconsistencies between the calculated andexperimental Se-II phase - the calculations show it to be a metastable metalwhile the experiment finds a stable semiconductor. We propose that theexperimentally reported structure is probably in error.Comment: 4 pages 4 figure

Total energy calculation for high pressure selenium: the origin of incommensurate modulations in Se IV and the instability of proposed Se II