Origin of the Giant Negative Thermal Expansion in Mn3(Cu0.5Ge0.5)N
The giant negative thermal expansion in the Ge-doped antiperovskite Mn3CuN compound is theoretically studied by using the first principles calculations. We propose that such a negative thermal expansion property is essentially attributed to the magnetic phase transition, rather than to the lattice v...
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| Format: | Article |
| Language: | English |
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Hindawi Limited
2012-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2012/913168 |
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doaj-c046e32bfaf64f80baa70fc0c571d55c2020-11-24T23:13:28ZengHindawi LimitedAdvances in Condensed Matter Physics1687-81081687-81242012-01-01201210.1155/2012/913168913168Origin of the Giant Negative Thermal Expansion in Mn3(Cu0.5Ge0.5)NB. Y. Qu0H. Y. He1B. C. Pan2Department of Physics, University of Science and Technology of China, Anhui, Hefei 230026, ChinaDepartment of Physics, University of Science and Technology of China, Anhui, Hefei 230026, ChinaDepartment of Physics, University of Science and Technology of China, Anhui, Hefei 230026, ChinaThe giant negative thermal expansion in the Ge-doped antiperovskite Mn3CuN compound is theoretically studied by using the first principles calculations. We propose that such a negative thermal expansion property is essentially attributed to the magnetic phase transition, rather than to the lattice vibration of the Ge-doped compound. Furthermore, we found that the doped Ge atoms in the compound significantly enhance the antiferromagnetic couplings between the nearest neighboring Mn ions, which effectively stabilizes the magnetic ground states. In addition, the nature of the temperature-dependent changes in the volume of the Ge-doped compound was revealed.http://dx.doi.org/10.1155/2012/913168 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
B. Y. Qu H. Y. He B. C. Pan |
| spellingShingle |
B. Y. Qu H. Y. He B. C. Pan Origin of the Giant Negative Thermal Expansion in Mn3(Cu0.5Ge0.5)N Advances in Condensed Matter Physics |
| author_facet |
B. Y. Qu H. Y. He B. C. Pan |
| author_sort |
B. Y. Qu |
| title |
Origin of the Giant Negative Thermal Expansion in Mn3(Cu0.5Ge0.5)N |
| title_short |
Origin of the Giant Negative Thermal Expansion in Mn3(Cu0.5Ge0.5)N |
| title_full |
Origin of the Giant Negative Thermal Expansion in Mn3(Cu0.5Ge0.5)N |
| title_fullStr |
Origin of the Giant Negative Thermal Expansion in Mn3(Cu0.5Ge0.5)N |
| title_full_unstemmed |
Origin of the Giant Negative Thermal Expansion in Mn3(Cu0.5Ge0.5)N |
| title_sort |
origin of the giant negative thermal expansion in mn3(cu0.5ge0.5)n |
| publisher |
Hindawi Limited |
| series |
Advances in Condensed Matter Physics |
| issn |
1687-8108 1687-8124 |
| publishDate |
2012-01-01 |
| description |
The giant negative thermal expansion in the Ge-doped antiperovskite Mn3CuN compound is theoretically studied by using the first principles calculations. We propose that such a negative thermal expansion property is essentially attributed to the magnetic phase transition, rather than to the lattice vibration of the Ge-doped compound. Furthermore, we found that the doped Ge atoms in the compound significantly enhance the antiferromagnetic couplings between the nearest neighboring Mn ions, which effectively stabilizes the magnetic ground states. In addition, the nature of the temperature-dependent changes in the volume of the Ge-doped compound was revealed. |
| url |
http://dx.doi.org/10.1155/2012/913168 |
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AT byqu originofthegiantnegativethermalexpansioninmn3cu05ge05n AT hyhe originofthegiantnegativethermalexpansioninmn3cu05ge05n AT bcpan originofthegiantnegativethermalexpansioninmn3cu05ge05n |
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