40 research outputs found
Total energy calculation of high pressure selenium: The origin of incommensurate modulations in Se-IV and the instability of proposed Se-II
Full text linkWe 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 of
imaginary phonon frequencies arising from Kohn anomalies in the putative
undistorted phase. We also find inconsistencies between the calculated and
experimental Se-II phase - the calculations show it to be a metastable metal
while the experiment finds a stable semiconductor. We propose that the
experimentally reported structure is probably in error.Comment: 4 pages 4 figure
The crystal structure of, and the bismuth-copper distribution in synthetic cuprobisrauthite
No full textBernardite, a new thallium arsenic sulphosalt from Allchar, Macedonia, with a determination of the crystal structure
No full textChemical properties and pedogenesis of yellowish/yellow brown forest soils in the submontane and mountain zones of Kyushu district, southwestern Japan
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Variation of fruiting body productivity in protoplast fusants between compatible monokaryons ofLentinula edodes
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