Ontology highlight
ABSTRACT:
SUBMITTER: Schonecker S
PROVIDER: S-EPMC4594358 | biostudies-literature | 2015 Oct
REPOSITORIES: biostudies-literature
Scientific reports 20151006
Absolute values of surface energy and surface stress of solids are hardly accessible by experiment. Here, we investigate the temperature dependence of both parameters for the (001) and (110) surface facets of body-centered cubic Fe from first-principles modeling taking into account vibrational, electronic, and magnetic degrees of freedom. The monotonic decrease of the surface energies of both facets with increasing temperature is mostly due to lattice vibrations and magnetic disorder. The surfac ...[more]