Temperature-dependent surface relaxations of Ag(111)
نویسندگان
چکیده
منابع مشابه
Temperature-dependent surface relaxations of Ag„111..
The temperature-dependent surface relaxation of Ag~111! is calculated by density-functional theory. At a given temperature, the equilibrium geometry is determined by minimizing the Helmholtz free energy within the quasiharmonic approximation. To this end, phonon dispersions all over the Brillouin zone are determined from density-functional perturbation theory. We find that the top-layer relaxat...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1999
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.59.970