Unusually Large Thermal Expansion of Ag(111)
| dc.creator | Narasimhan, Shobhana | |
| dc.creator | Scheffler, Matthias | |
| dc.date | 1995-11-01 | |
| dc.date.accessioned | 2026-07-07T09:15:52Z | |
| dc.date.available | 2026-07-07T09:15:52Z | |
| dc.description | We investigate the thermal behavior of the (111) surface of silver, using phonon frequencies obtained from ab initio total energy calculations, and anharmonic effects treated within a quasiharmonic approximation. Our results reproduce the experimental observation of a large and anomalous increase in the surface thermal expansion at high temperatures [P. Statiris et al., Phys. Rev. Lett. 72, 3574 (1994)]. Surprisingly, we find that this increase can be attributed to a rapid softening of the in-plane phonon frequencies, rather than due to the anharmonicity of the out-of-plane surface phonon modes. This provides evidence for a new mechanism for the enhancement of surface anharmonicity. A comparison with Al(111) shows that the two surfaces behave quite differently, with no evidence for such anomalous behavior on Al(111). | |
| dc.description | RevTeX, 4 pages, 4 figures in uufiles format | |
| dc.identifier | https://arxiv.org/abs/mtrl-th/9511001 | |
| dc.identifier | http://arxiv.org/abs/mtrl-th/9511001 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/153167 | |
| dc.subject | Materials Science | |
| dc.title | Unusually Large Thermal Expansion of Ag(111) | |
| dc.type | text |