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mtrl-th1996
A Model for the Thermal Expansion of Ag(111) and other Metal Surfaces
Shobhana Narasimhan, Matthias Scheffler
We develop a model to study the thermal expansion of surfaces, wherein phonon frequencies are obtained from ab initio total energy calculations. Anharmonic effects are treated exac…
mtrl-th1995
Unusually Large Thermal Expansion of Ag(111)
Shobhana Narasimhan, Matthias Scheffler
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 withi…