Low-temperature thermodynamics of Xe-doped fullerite C₆₀
Using a model of the fullerene C₆₀ molecule with carbon atoms uniformly distributed over its surface, the potential energy U(n) of a Xe atom in an octahedral void of C₆₀ is calculated. Within the framework of threedimensional harmonic oscillator, the lowest energy levels are estimated and the cont...
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| Опубліковано в: : | Физика низких температур |
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| Дата: | 2015 |
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| Формат: | Стаття |
| Мова: | English |
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Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2015
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| Онлайн доступ: | https://nasplib.isofts.kiev.ua/handle/123456789/127939 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Low-temperature thermodynamics of Xe-doped fullerite C₆₀ / M.S. Klochko, M.A. Strzhemechny // Физика низких температур. — 2015. — Т. 41, № 6. — С. 620-624. — Бібліогр.: 13 назв. — англ. |
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Klochko, M.S. Strzhemechny, M.A. 2017-12-31T13:57:02Z 2017-12-31T13:57:02Z 2015 Low-temperature thermodynamics of Xe-doped fullerite C₆₀ / M.S. Klochko, M.A. Strzhemechny // Физика низких температур. — 2015. — Т. 41, № 6. — С. 620-624. — Бібліогр.: 13 назв. — англ. 0132-6414 PACS: 61.48.+c, 61.72.Ji, 65.40.De, 65.40.Ba https://nasplib.isofts.kiev.ua/handle/123456789/127939 Using a model of the fullerene C₆₀ molecule with carbon atoms uniformly distributed over its surface, the potential energy U(n) of a Xe atom in an octahedral void of C₆₀ is calculated. Within the framework of threedimensional harmonic oscillator, the lowest energy levels are estimated and the contribution of xenon impurity atoms to the heat capacity of the Xe–C₆₀ system is determined. The contribution of Xe dopants to the total heat capacity is shown to be essential compared to that of pure fullerite. Using the calculated energy spectrum we estimated the contribution of Xe atoms to the thermal expansivity of C₆₀ with 37% of Xe. This contribution is in a qualitative agreement with experimental findings. We estimated the Grüneisen parameter Г due to the anisotropic part of U(n) to show that the negative part of Г is negligible due to the very small width of the five lower oscillatory wave functions. The authors thank M.I. Bagatskii and V.V. Sumarokov for providing original heat capacity data for pure fullerite C₆₀. Similar thanks are due to A.V. Dolbin for the detailed experimental data concerning thermal expansivities of both pure and Xe-doped fullerite C₆₀. en Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України Физика низких температур 10th International Conference on Cryocrystals and Quantum Crystals Low-temperature thermodynamics of Xe-doped fullerite C₆₀ Article published earlier |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| title |
Low-temperature thermodynamics of Xe-doped fullerite C₆₀ |
| spellingShingle |
Low-temperature thermodynamics of Xe-doped fullerite C₆₀ Klochko, M.S. Strzhemechny, M.A. 10th International Conference on Cryocrystals and Quantum Crystals |
| title_short |
Low-temperature thermodynamics of Xe-doped fullerite C₆₀ |
| title_full |
Low-temperature thermodynamics of Xe-doped fullerite C₆₀ |
| title_fullStr |
Low-temperature thermodynamics of Xe-doped fullerite C₆₀ |
| title_full_unstemmed |
Low-temperature thermodynamics of Xe-doped fullerite C₆₀ |
| title_sort |
low-temperature thermodynamics of xe-doped fullerite c₆₀ |
| author |
Klochko, M.S. Strzhemechny, M.A. |
| author_facet |
Klochko, M.S. Strzhemechny, M.A. |
| topic |
10th International Conference on Cryocrystals and Quantum Crystals |
| topic_facet |
10th International Conference on Cryocrystals and Quantum Crystals |
| publishDate |
2015 |
| language |
English |
| container_title |
Физика низких температур |
| publisher |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| format |
Article |
| description |
Using a model of the fullerene C₆₀ molecule with carbon atoms uniformly distributed over its surface, the potential
energy U(n) of a Xe atom in an octahedral void of C₆₀ is calculated. Within the framework of threedimensional
harmonic oscillator, the lowest energy levels are estimated and the contribution of xenon impurity
atoms to the heat capacity of the Xe–C₆₀ system is determined. The contribution of Xe dopants to the total heat
capacity is shown to be essential compared to that of pure fullerite. Using the calculated energy spectrum we estimated
the contribution of Xe atoms to the thermal expansivity of C₆₀ with 37% of Xe. This contribution is in a
qualitative agreement with experimental findings. We estimated the Grüneisen parameter Г due to the anisotropic
part of U(n) to show that the negative part of Г is negligible due to the very small width of the five lower
oscillatory wave functions.
|
| issn |
0132-6414 |
| url |
https://nasplib.isofts.kiev.ua/handle/123456789/127939 |
| citation_txt |
Low-temperature thermodynamics of Xe-doped fullerite C₆₀ / M.S. Klochko, M.A. Strzhemechny // Физика низких температур. — 2015. — Т. 41, № 6. — С. 620-624. — Бібліогр.: 13 назв. — англ. |
| work_keys_str_mv |
AT klochkoms lowtemperaturethermodynamicsofxedopedfulleritec60 AT strzhemechnyma lowtemperaturethermodynamicsofxedopedfulleritec60 |
| first_indexed |
2025-12-07T18:06:53Z |
| last_indexed |
2025-12-07T18:06:53Z |
| _version_ |
1850873807949004800 |