Form of presentation | International monographs |
Year of publication | 2024 |
Язык | русский |
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Kiyamov Ayrat Gazinurovich, author
Kuznecov Maksim Dmitrievich, author
Tagirov Lenar Rafgatovich, author
Tayurskiy Dmitriy Albertovich, author
|
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Tsurkan Vladimir , author
|
|
Kuznecov Maksim Dmitrievich, author
Kuznecov Maksim Dmitrievich, author
|
Bibliographic description in the original language |
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 |
Annotation |
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. |
Keywords |
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 |
Please use this ID to quote from or refer to the card |
https://repository.kpfu.ru/eng/?p_id=302539&p_lang=2 |
Resource files | |
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Full metadata record ![](https://shelly.kpfu.ru/pdf/picture/arrow_black_right.gif) |
Field DC |
Value |
Language |
dc.contributor.author |
Kiyamov Ayrat Gazinurovich |
ru_RU |
dc.contributor.author |
Kuznecov Maksim Dmitrievich |
ru_RU |
dc.contributor.author |
Tagirov Lenar Rafgatovich |
ru_RU |
dc.contributor.author |
Tayurskiy Dmitriy Albertovich |
ru_RU |
dc.contributor.author |
Tsurkan Vladimir |
ru_RU |
dc.contributor.author |
Kuznecov Maksim Dmitrievich |
ru_RU |
dc.contributor.author |
Kuznecov Maksim Dmitrievich |
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/eng/?p_id=302539&p_lang=2 |
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 |
International monographs |
ru_RU |
|