Abstract
A new structure-property relationship links atomic displacement parameters (ADP) and the lattice thermal conductivity of clathrate-like compounds. For many clathrate-like compounds, in which one of the atom types is weakly bound and "rattles" within its atomic cage, room temperature ADP information can be used to estimate the room temperature lattice thermal conductivity, the vibration frequency of the "rattler", and the temperature dependence of the heat capacity. X-ray crystallography data, reported in the literature, are used to apply this analysis to several promising classes of thermoelectric materials.
| Original language | English |
|---|---|
| Pages (from-to) | 528-532 |
| Number of pages | 5 |
| Journal | Journal of Solid State Chemistry |
| Volume | 146 |
| Issue number | 2 |
| DOIs | |
| State | Published - Sep 1999 |
Funding
It is a pleasure to acknowledge useful discussions with Don Morelli, Greg Meisner, George Nolas, and Glen Slack. Research was sponsored in part by a Cooperative Research and Development Agreement with Mar-low Industries and in part by the Division of Materials Sciences, U.S. Department of Energy, Contract No. De-ACO5-96OR22464. Oak Ridge National Laboratory is managed by the Lockheed Martin Energy Research Corporation for the U.S. Department of Energy.
| Funders | Funder number |
|---|---|
| Cooperative Research and Development Agreement | |
| Division of Materials Sciences | |
| U.S. Department of Energy | De-ACO5-96OR22464 |
| Lockheed Martin Corporation | |
| Oak Ridge National Laboratory |
Keywords
- Atomic displacement parameters
- Clathrate
- Heat capacity
- Rattler
- Skutterudite
- Thallium
- Thermal conductivity
- Thermoelectric