| Literature DB >> 17678171 |
Dominik Legut1, Martin Friák, Mojmír Sob.
Abstract
Using the state-of-the-art ab initio electronic structure calculations, we explain why alpha-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.Entities:
Year: 2007 PMID: 17678171 DOI: 10.1103/PhysRevLett.99.016402
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161