Форма представления | Зарубежные монографии |
Год публикации | 2024 |
Язык | русский |
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Киямов Айрат Газинурович, автор
Кузнецов Максим Дмитриевич, автор
Тагиров Ленар Рафгатович, автор
Таюрский Дмитрий Альбертович, автор
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Tsurkan Vladimir , автор
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Кузнецов Максим Дмитриевич, автор
Кузнецов Максим Дмитриевич, автор
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Библиографическое описание на языке оригинала |
Kiiamov, A., Kuznetsov, M., Tsurkan, V., Croitori, D., Krug von Nidda, H.-A., Seidov, Z., Mayr, F., Hemmida, M., Widmann, S., Günther, A., Loidl, A., A. Tayurskii, D., & R. Tagirov, L. (2024). Ab initio Modeling of Phonons in the Family of Quasi-One-Dimensional Antiferromagnets AFeX2. In Phonons - Recent Advances, New Perspectives and Applications. IntechOpen. https://doi.org/10.5772/intechopen.1005478 |
Аннотация |
A review of the recent development in ab initio calculations of the vibrational
properties of quasi-one-dimensional (1D) antiferromagnets with AFeX2 structure is presented. Density functional theory (DFT + U) was applied to calculate the phonon modes specific to each element in the structure and the corresponding partial density of states (PDOS). The calculations revealed a strongly non-Debye phonon DOS. Using these results, the nuclear inelastic scattering spectra, temperature dependence of the Lamb-Mössbauer factor, infrared (IR) absorption strength, and phonon-specific heat were derived by direct summation over the phonon modes. The calculations demonstrate good agreement with the experiments and pave the way for understanding the
anomalous magnetic properties of AFeX2 quasi-one-dimensional antiferromagnets at a quantitative level. |
Ключевые слова |
quasi-one-dimensional antiferromagnet, ab initio calculation of phonons, element-specific phonon density of states, phonon-specific heat, nuclear inelastic scattering spectroscopy, Mössbauer spectroscopy, magnetic susceptibility |
URL |
https://www.intechopen.com/online-first/1186114 |
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https://repository.kpfu.ru/?p_id=302539 |
Файлы ресурса | |
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Поле DC |
Значение |
Язык |
dc.contributor.author |
Киямов Айрат Газинурович |
ru_RU |
dc.contributor.author |
Кузнецов Максим Дмитриевич |
ru_RU |
dc.contributor.author |
Тагиров Ленар Рафгатович |
ru_RU |
dc.contributor.author |
Таюрский Дмитрий Альбертович |
ru_RU |
dc.contributor.author |
Tsurkan Vladimir |
ru_RU |
dc.contributor.author |
Кузнецов Максим Дмитриевич |
ru_RU |
dc.contributor.author |
Кузнецов Максим Дмитриевич |
ru_RU |
dc.date.accessioned |
2024-01-01T00:00:00Z |
ru_RU |
dc.date.available |
2024-01-01T00:00:00Z |
ru_RU |
dc.date.issued |
2024 |
ru_RU |
dc.identifier.citation |
Kiiamov, A., Kuznetsov, M., Tsurkan, V., Croitori, D., Krug von Nidda, H.-A., Seidov, Z., Mayr, F., Hemmida, M., Widmann, S., Günther, A., Loidl, A., A. Tayurskii, D., & R. Tagirov, L. (2024). Ab initio Modeling of Phonons in the Family of Quasi-One-Dimensional Antiferromagnets AFeX2. In Phonons - Recent Advances, New Perspectives and Applications. IntechOpen. https://doi.org/10.5772/intechopen.1005478 |
ru_RU |
dc.identifier.uri |
https://repository.kpfu.ru/?p_id=302539 |
ru_RU |
dc.description.abstract |
A review of the recent development in ab initio calculations of the vibrational
properties of quasi-one-dimensional (1D) antiferromagnets with AFeX2 structure is presented. Density functional theory (DFT + U) was applied to calculate the phonon modes specific to each element in the structure and the corresponding partial density of states (PDOS). The calculations revealed a strongly non-Debye phonon DOS. Using these results, the nuclear inelastic scattering spectra, temperature dependence of the Lamb-Mössbauer factor, infrared (IR) absorption strength, and phonon-specific heat were derived by direct summation over the phonon modes. The calculations demonstrate good agreement with the experiments and pave the way for understanding the
anomalous magnetic properties of AFeX2 quasi-one-dimensional antiferromagnets at a quantitative level. |
ru_RU |
dc.language.iso |
ru |
ru_RU |
dc.subject |
quasi-one-dimensional antiferromagnet |
ru_RU |
dc.subject |
ab initio calculation of phonons |
ru_RU |
dc.subject |
element-specific phonon density of states |
ru_RU |
dc.subject |
phonon-specific heat |
ru_RU |
dc.subject |
nuclear inelastic scattering spectroscopy |
ru_RU |
dc.subject |
Mössbauer spectroscopy |
ru_RU |
dc.subject |
magnetic susceptibility |
ru_RU |
dc.title |
Ab initio Modeling of Phonons in the Family of Quasi-One-Dimensional Antiferromagnets AFeX2. In Phonons - Recent Advances, New Perspectives and Applications |
ru_RU |
dc.type |
Зарубежные монографии |
ru_RU |
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