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Calculation of the electronic structure and hyperfine fields for Fe 1 - X Co x B and (Fe1 - X Co x )2B compounds by the Korringa-Kohn-Rostoker method. / Klindukhov, N. A.; Kasperovich, V. S.; Shelyapina, M. G.; El Kebir, Hlil.
в: Physics of the Solid State, Том 50, № 2, 02.2008, стр. 302-307.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Calculation of the electronic structure and hyperfine fields for Fe 1 - X Co x B and (Fe1 - X Co x )2B compounds by the Korringa-Kohn-Rostoker method
AU - Klindukhov, N. A.
AU - Kasperovich, V. S.
AU - Shelyapina, M. G.
AU - El Kebir, Hlil
PY - 2008/2
Y1 - 2008/2
N2 - The magnetic properties of Fe1 - x Co x B and (Fe1 - x Co x )2B disordered compounds were investigated using first-principles calculations of the electronic structure in the framework of the density functional theory with the Korringa-Kohn-Rostoker method. The concentration dependences of the magnetic moments and the electron density were calculated for the Fe1 - x Co x B solid solutions. The results obtained were used to analyze in detail and to interpret the transition from a magnetic phase to a nonmagnetic phase, which was previously revealed from the experiments in the compounds under investigation. The performed analysis of the calculated hyperfine fields induced by the electronic shells at the iron and cobalt atoms in the (Fe1 - x Co x )2B borides made it possible to explain the experimentally observed magnetic anisotropy.
AB - The magnetic properties of Fe1 - x Co x B and (Fe1 - x Co x )2B disordered compounds were investigated using first-principles calculations of the electronic structure in the framework of the density functional theory with the Korringa-Kohn-Rostoker method. The concentration dependences of the magnetic moments and the electron density were calculated for the Fe1 - x Co x B solid solutions. The results obtained were used to analyze in detail and to interpret the transition from a magnetic phase to a nonmagnetic phase, which was previously revealed from the experiments in the compounds under investigation. The performed analysis of the calculated hyperfine fields induced by the electronic shells at the iron and cobalt atoms in the (Fe1 - x Co x )2B borides made it possible to explain the experimentally observed magnetic anisotropy.
UR - http://www.scopus.com/inward/record.url?scp=40549115997&partnerID=8YFLogxK
U2 - 10.1007/s11451-008-2014-z
DO - 10.1007/s11451-008-2014-z
M3 - Article
AN - SCOPUS:40549115997
VL - 50
SP - 302
EP - 307
JO - Physics of the Solid State
JF - Physics of the Solid State
SN - 1063-7834
IS - 2
ER -
ID: 16797189