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5 papers · 2 filters
Ionic high-pressure form of elemental boron
Artem R. Oganov, Jiuhua Chen, Carlo Gatti +7
Boron is an element of fascinating chemical complexity. Controversies have shrouded this element since its discovery was announced in 1808: the new 'element' turned out to be a com…
Transparent dense sodium
Y. Ma, M. I. Eremets, A. R. Oganov +6
Under pressure, metals exhibit increasingly shorter interatomic distances. Intuitively, this response is expected to be accompanied by an increase in the widths of the valence and…
Comment on "Superhard Semiconducting Optically Transparent High Pressure Phase of Boron"
A. R. Oganov, V. L. Solozhenko, O. O. Kurakevych +5
This Comment points out a number of errors in the recent paper by Zarechnaya, Dubrovinskaia, Dubrovinsky, et al. (Phys. Rev. Lett. 102, 185501 (2009)). Results and conclusions pres…
New high-pressure form of boron is significantly ionic
Artem R. Oganov, Jiuhua Chen, Carlo Gatti +7
The comment of Dubrovinskaia et al. is scientifically flawed. The high-pressure form of boron, discovered by Oganov et al., is indeed new and its bonding has a significant ionic ch…
Density functional study of elastic and vibrational properties of the Heusler-type alloys FeVAl and FeVGa
V. Kanchana, G. Vaitheeswaran, Yanming Ma +3
The structural and elastic properties as well as phonon-dispersion relations of the Heusler-type alloys FeVAl and FeVGa are computed using density-functional and density-fu…