| LEGUT, Dominik, Martin FRIÁK and Mojmír ŠOB. Why is polonium simple cubic and so highly anisotropic? Physical Review Letters. USA: The Americal Physical Society, 2007, vol. 99, No 1, p. 016402-1; 016402-4, 4 pp. ISSN 0031-9007. |
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@article{753056,
author = {Legut, Dominik and Friák, Martin and Šob, Mojmír},
article_location = {USA},
article_number = {1},
keywords = {electronic structure; ab initio calculations; elastic anisotropy; relativistic effects},
language = {eng},
issn = {0031-9007},
journal = {Physical Review Letters},
title = {Why is polonium simple cubic and so highly anisotropic?},
volume = {99},
year = {2007}
}
TY - JOUR
ID - 753056
AU - Legut, Dominik - Friák, Martin - Šob, Mojmír
PY - 2007
TI - Why is polonium simple cubic and so highly anisotropic?
JF - Physical Review Letters
VL - 99
IS - 1
SP - 016402-1; 016402-4
EP - 016402-1; 016402-4
PB - The Americal Physical Society
SN - 00319007
KW - electronic structure
KW - ab initio calculations
KW - elastic anisotropy
KW - relativistic effects
N2 - Using the state-of-the-art ab initio electronic structure calculations, we explain why $\alpha$-Po prefers the simple cubic (s.c.) structure (it is due to the relativistic mass-velocity and Darwin terms), elucidate its extreme elastic anisotropy (this is an intrinsic property of the s.c. crystal structure) and predict a transformation to a mixture of two trigonal structures at pressures of 1-3 GPa.
ER -
LEGUT, Dominik, Martin FRIÁK and Mojmír ŠOB. Why is polonium simple cubic and so highly anisotropic? \textit{Physical Review Letters}. USA: The Americal Physical Society, 2007, vol.~99, No~1, p.~016402-1; 016402-4, 4 pp. ISSN~0031-9007.
|
