Phys. Rev. Lett. 99, 016402 (2007) [4 pages]Why Is Polonium Simple Cubic and So Highly Anisotropic?Received 26 October 2006; published 6 July 2007 Using the state-of-the-art ab initio electronic structure calculations, we explain why α-Po prefers the simple cubic structure (it is due to the relativistic mass-velocity and Darwin terms), elucidate its extreme elastic anisotropy (this is an intrinsic property of the simple cubic crystal structure), and predict a transformation to a mixture of two trigonal structures at pressures of 1–3 GPa. © 2007 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.99.016402
DOI:
10.1103/PhysRevLett.99.016402
PACS:
71.15.Mb, 71.15.Rf, 71.55.Ak, 71.70.Ej
See AlsoComment: Kyoo Kim, Hong Chul Choi, and B. I. Min, Comment on “Why is Polonium Simple Cubic and So Highly Anisotropic?”, Phys. Rev. Lett. 102, 079701 (2009). Reply: Mojmír Šob, Dominik Legut, and Martin Friák, Šob, Legut, and Friák Reply:, Phys. Rev. Lett. 102, 079702 (2009). |
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