| FRIÁK, Martin, Mojmír ŠOB and Vaclav VITEK. Structure and magnetism of iron and iron overlayers from the first principles. In Proc. 3rd Int. Conf. on Materials Structure & Micromechanics of Fracture. Brno, Česká republika: P. Sandera, 2001, p. 151-159. VUTIUM, Brno University of Technology, Brno 2001. ISBN 80-214-1892-3. |
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@inproceedings{383830,
author = {Friák, Martin and Šob, Mojmír and Vitek, Vaclav},
address = {Brno, Česká republika},
booktitle = {Proc. 3rd Int. Conf. on Materials Structure & Micromechanics of Fracture},
keywords = {ab initio; iron overlayers; magnetism},
language = {eng},
location = {Brno, Česká republika},
isbn = {80-214-1892-3},
pages = {151-159},
publisher = {P. Sandera},
title = {Structure and magnetism of iron and iron overlayers from the first principles},
year = {2001}
}
TY - JOUR
ID - 383830
AU - Friák, Martin - Šob, Mojmír - Vitek, Vaclav
PY - 2001
TI - Structure and magnetism of iron and iron overlayers from the first principles
VL - VUTIUM, Brno University of Technology, Brno 2001
PB - P. Sandera
CY - Brno, Česká republika
SN - 8021418923
KW - ab initio
KW - iron overlayers
KW - magnetism
N2 - A detailed theoretical study of magnetic behavior of iron along the bcc-fcc (Bain's) transformation paths at various atomic volumes is presented. The total energies are calculated by spin-polarized full-potential LAPW method and are displayed in contour plots as functions of tetragonal distortion $c/a$ and volume; borderlines between various magnetic phases are shown. Stability of tetragonal magnetic phases of $\gamma$-Fe is discussed. The calculated phase boundaries are used to predict the lattice parameters and magnetic states of iron overlayers on various (001) substrates.
ER -
FRIÁK, Martin, Mojmír ŠOB and Vaclav VITEK. Structure and magnetism of iron and iron overlayers from the first principles. In \textit{Proc. 3rd Int. Conf. on Materials Structure \&{} Micromechanics of Fracture}. Brno, Česká republika: P. Sandera, 2001, p.~151-159. VUTIUM, Brno University of Technology, Brno 2001. ISBN~80-214-1892-3.
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