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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 изданияхстатьяРецензирование

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Klindukhov, N. A. ; Kasperovich, V. S. ; Shelyapina, M. G. ; El Kebir, Hlil. / 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. в: Physics of the Solid State. 2008 ; Том 50, № 2. стр. 302-307.

BibTeX

@article{3154e75fa5cc4d4bb706a086c03aea69,
title = "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",
abstract = "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.",
author = "Klindukhov, {N. A.} and Kasperovich, {V. S.} and Shelyapina, {M. G.} and {El Kebir}, Hlil",
year = "2008",
month = feb,
doi = "10.1007/s11451-008-2014-z",
language = "English",
volume = "50",
pages = "302--307",
journal = "Physics of the Solid State",
issn = "1063-7834",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "2",

}

RIS

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