ELECTRONIC STRUCTURE OF Gd-DOPED MgO

Результат исследований: Вклад в журналСтатьяНаучно-исследовательскаярецензирование

Аннотация

The electronic structure of Gd-doped MgO is investigated using the LSDA+U (local spin density approximation with U-correction) method and compared to the MgO structure. The total density of states obtained accounting for the correlation effects in the 4f shell of gadolinium is found to be formed by the oxygen 2p states at the valence band and the 4f gadolinium occupied states, while the conduction band is represented by a mixture of empty electronic states. Magnetic properties of the calculated Gd-doped MgO are found to be formed solely by the Gd-4f-magnetic moment of about 7/кв, in good agreement with recent experimental results suggesting a ferromagnetic coupling of the local magnetic moments induced by Gd.
Язык оригиналаАнглийский
Страницы (с-по)389-392
Число страниц4
ЖурналЖурнал экспериментальной и теоретической физики
Том149
Номер выпуска2
СостояниеОпубликовано - 2016

Отпечаток

gadolinium
magnetic moments
conduction bands
electronic structure
magnetic properties
valence
oxygen
approximation
electronics

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abstract = "The electronic structure of Gd-doped MgO is investigated using the LSDA+U (local spin density approximation with U-correction) method and compared to the MgO structure. The total density of states obtained accounting for the correlation effects in the 4f shell of gadolinium is found to be formed by the oxygen 2p states at the valence band and the 4f gadolinium occupied states, while the conduction band is represented by a mixture of empty electronic states. Magnetic properties of the calculated Gd-doped MgO are found to be formed solely by the Gd-4f-magnetic moment of about 7/кв, in good agreement with recent experimental results suggesting a ferromagnetic coupling of the local magnetic moments induced by Gd.",
author = "A.V. LUKOYANOV and V.I. ANISIMOV",
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ELECTRONIC STRUCTURE OF Gd-DOPED MgO. / LUKOYANOV, A.V.; ANISIMOV, V.I.

В: Журнал экспериментальной и теоретической физики, Том 149, № 2, 2016, стр. 389-392.

Результат исследований: Вклад в журналСтатьяНаучно-исследовательскаярецензирование

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AU - LUKOYANOV, A.V.

AU - ANISIMOV, V.I.

PY - 2016

Y1 - 2016

N2 - The electronic structure of Gd-doped MgO is investigated using the LSDA+U (local spin density approximation with U-correction) method and compared to the MgO structure. The total density of states obtained accounting for the correlation effects in the 4f shell of gadolinium is found to be formed by the oxygen 2p states at the valence band and the 4f gadolinium occupied states, while the conduction band is represented by a mixture of empty electronic states. Magnetic properties of the calculated Gd-doped MgO are found to be formed solely by the Gd-4f-magnetic moment of about 7/кв, in good agreement with recent experimental results suggesting a ferromagnetic coupling of the local magnetic moments induced by Gd.

AB - The electronic structure of Gd-doped MgO is investigated using the LSDA+U (local spin density approximation with U-correction) method and compared to the MgO structure. The total density of states obtained accounting for the correlation effects in the 4f shell of gadolinium is found to be formed by the oxygen 2p states at the valence band and the 4f gadolinium occupied states, while the conduction band is represented by a mixture of empty electronic states. Magnetic properties of the calculated Gd-doped MgO are found to be formed solely by the Gd-4f-magnetic moment of about 7/кв, in good agreement with recent experimental results suggesting a ferromagnetic coupling of the local magnetic moments induced by Gd.

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VL - 149

SP - 389

EP - 392

JO - Журнал экспериментальной и теоретической физики

JF - Журнал экспериментальной и теоретической физики

SN - 0044-4510

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