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Abstract:
Total-energy calculations for fcc and bcc silver had shown that if silver is forced to grow with a volume per atom > 10% larger than that of the well-known fcc silver, the total energy of the bcc structure gets below that of fcc silver. In this paper we present detailed electronic-structure and angular resolved photoemission calculations of the silver fcc (111) and bcc (110) surfaces. For both surfaces we obtain a surface state at the Fermi level. We show that an experimental distinction between the two lattice structures should be possible by angular resolved photoemission.
