Связь магнетизма сплавов 3d-металлов с электронной структурой в теории Стонера и в ДТСФ

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Abstract

Исследуется зависимость магнитных свойств: температуры Кюри, среднего и локального магнитных моментов – от типа кристаллической решетки и среднего числа d-электронов на атом. Проблема рассматривается в двух приближениях: без учета спиновых флуктуаций, в теории среднего поля Стонера, и с учетом спиновых флуктуаций, в динамической теории спиновых флуктуаций (ДТСФ). В ДТСФ получен аналог кривой Слэтера-Полинга для среднего магнитного момента при конечных температурах. Численные результаты в ДТСФ находятся в качественном согласии с экспериментом: магнитной фазовой диаграммой и зависимостью магнитного момента от концентрации в ферромагнитных сплавах.

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Н. Б. Мельников

Московский государственный университет им. М.В. Ломоносова

Author for correspondence.
Email: melnikov@cs.msu.ru
Russian Federation, Ленинские горы, Москва, 119991

А. С. Гуленко

Московский государственный университет им. М.В. Ломоносова

Email: melnikov@cs.msu.ru
Russian Federation, Ленинские горы, Москва, 119991

Б. И. Резер

Институт физики металлов УрО РАН

Email: melnikov@cs.msu.ru
Russian Federation, ул. С. Ковалевской, 18, Екатеринбург, 620108

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Supplementary files

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2. Fig. 1. DOS of d-electrons of iron, cobalt and nickel: original and smoothed using a convolution with the Lorentz function of half-width Г = 0.005W. The energies are given in units of bandwidth (Table 1). The vertical bar indicates the Fermi level ɛF.

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3. Fig. 2. Dependence of the average magnetic moment mz at T = 0 for the DOS of iron, cobalt and nickel on the number of d-electrons per atom Nₑ in Stoner's theory. The arrows indicate the values ​​of Nₑ for iron, cobalt and nickel.

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4. Fig. 3. Dependence of the average magnetic moment mz on the number of d-electrons per atom Ne for the DOS of iron, cobalt and nickel in the Stoner theory (left) and in the DTSF (right) at different T. The vertical bar indicates the number of d-electrons per atom Nₑ for the corresponding metal, and the temperature is measured in TC units of the corresponding metal.

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5. Fig. 4. Dependence of the Curie temperature TC on the number of d-electrons per atom Nₑ for the DES of iron, cobalt and nickel: a) in Stoner's theory and b) in DTSF. The arrows indicate the Ne values ​​of iron, cobalt and nickel.

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6. Fig. 5. Dependence of the average magnetic moment mz for the DES of iron, cobalt and nickel on the number of d-electrons per atom in DTSF at T = 870 K (corresponds to the maximum TS for the fcc phase of Fₑ-Nᵢ alloys [25]). The arrows indicate the Ne values ​​of iron, cobalt and nickel.

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7. Fig. 6. Dependence of the local moment mL for the DES of iron, cobalt and nickel on the number of d-electrons per atom in DTSF at T = 870 K. The arrows indicate the Nₑ values ​​of iron, cobalt and nickel.

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