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Thermal and lattice dynamical properties of Na8Si46 clathrate
| Content Provider | Semantic Scholar |
|---|---|
| Author | Qiu, Liyan White, Mary Anne Li, Zhi-Qiang Tse, John S. Ratcliffe, Christopher I. Tulk, Christopher Alexander Dong, Jianjun Sankey, Otto F. |
| Copyright Year | 2001 |
| Abstract | The experimental heat capacity of Na 8Si46 has been determined from 35–300 K, and its lattice parameters have been measured over the range 100–330 K. The experimental heat capacity and the thermal-expansion coefficient are compared with theoretical lattice-dynamical calculations for Na 8Si46. The latter accurately reproduce the experimental thermal expansion and also give the first reliable assignment of the vibrational spectrum of this material, as judged by comparison of the calculated and experimental heat capacities. In addition, the theoretical results allow a calculation of the Gru ̈neisen parameter of Na 8Si46, which shows enhanced anharmonicity at low temperatures. |
| Starting Page | 024303 |
| Ending Page | 024303 |
| Page Count | 1 |
| File Format | PDF HTM / HTML |
| DOI | 10.1103/PhysRevB.64.024303 |
| Volume Number | 64 |
| Alternate Webpage(s) | https://dalspace.library.dal.ca/bitstream/handle/10222/36205/PhysRevB.64.024303.pdf?isAllowed=y&sequence=1 |
| Alternate Webpage(s) | https://doi.org/10.1103/PhysRevB.64.024303 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |