| dc.creator |
van de Walle, Axel |
|
| dc.creator |
Morgan, Dane |
|
| dc.creator |
Wu, Eric |
|
| dc.creator |
Ceder, Gerbrand |
|
| dc.date |
2003-12-22T21:03:08Z |
|
| dc.date |
2003-12-22T21:03:08Z |
|
| dc.date |
2002-01 |
|
| dc.date.accessioned |
2013-10-09T02:33:28Z |
|
| dc.date.available |
2013-10-09T02:33:28Z |
|
| dc.date.issued |
2013-10-09 |
|
| dc.identifier |
http://hdl.handle.net/1721.1/3992 |
|
| dc.identifier.uri |
http://koha.mediu.edu.my:8181/xmlui/handle/1721 |
|
| dc.description |
We study the effects of vibrations in the Pd₃ system using first-principles pseudopotential calculations. We find that upon disordering from the DO₂₂ phase, the decreases by 0.07kB. We explain our results in terms of atomic relaxations and size effects. |
|
| dc.description |
Singapore-MIT Alliance (SMA) |
|
| dc.format |
163297 bytes |
|
| dc.format |
application/pdf |
|
| dc.language |
en_US |
|
| dc.relation |
Advanced Materials for Micro- and Nano-Systems (AMMNS); |
|
| dc.subject |
Pd3V |
|
| dc.subject |
first-principles pseudopotential calculations |
|
| dc.subject |
vibrational thermodynamics |
|
| dc.subject |
size effects |
|
| dc.title |
Vibrational thermodynamics: coupling of chemical order and size effects |
|
| dc.type |
Article |
|