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Calculation of the electronic structure and hyperfine fields for Fe1-xCoxB and (Fe1-xCox)(2)B compounds by the Korringa-Kohn-Rostoker method. / Klindukhov, N. A.; Kasperovich, V. S.; Shelyapina, M. G.; Hlil, El Kebir.

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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Author

Klindukhov, N. A. ; Kasperovich, V. S. ; Shelyapina, M. G. ; Hlil, El Kebir. / Calculation of the electronic structure and hyperfine fields for Fe1-xCoxB and (Fe1-xCox)(2)B compounds by the Korringa-Kohn-Rostoker method. в: Physics of the Solid State. 2008 ; Том 50, № 2. стр. 302-307.

BibTeX

@article{760db5aa78f04a25a2d33b12c8f0b693,
title = "Calculation of the electronic structure and hyperfine fields for Fe1-xCoxB and (Fe1-xCox)(2)B compounds by the Korringa-Kohn-Rostoker method",
abstract = "The magnetic properties of Fe1-xCoxB and (Fe1-xCox)(2)B 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-xCoxB 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-xCox)(2)B borides made it possible to explain the experimentally observed magnetic anisotropy.",
keywords = "ALLOYS, FE, CO",
author = "Klindukhov, {N. A.} and Kasperovich, {V. S.} and Shelyapina, {M. G.} and Hlil, {El Kebir}",
year = "2008",
month = feb,
doi = "10.1134/S1063783408020145",
language = "Английский",
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 Fe1-xCoxB and (Fe1-xCox)(2)B compounds by the Korringa-Kohn-Rostoker method

AU - Klindukhov, N. A.

AU - Kasperovich, V. S.

AU - Shelyapina, M. G.

AU - Hlil, El Kebir

PY - 2008/2

Y1 - 2008/2

N2 - The magnetic properties of Fe1-xCoxB and (Fe1-xCox)(2)B 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-xCoxB 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-xCox)(2)B borides made it possible to explain the experimentally observed magnetic anisotropy.

AB - The magnetic properties of Fe1-xCoxB and (Fe1-xCox)(2)B 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-xCoxB 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-xCox)(2)B borides made it possible to explain the experimentally observed magnetic anisotropy.

KW - ALLOYS

KW - FE

KW - CO

U2 - 10.1134/S1063783408020145

DO - 10.1134/S1063783408020145

M3 - статья

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: 88609512