Electronic structure of fcc and bcc close-packed silver surfaces.
نویسندگان
چکیده
We report results of total energy and electronic structure calculations of fcc and bcc silver bulk and surfaces. We find that under normal conditions (positive pressure) bcc silver is not stable. However, if silver is grown with a volume per atom & 10% larger than that of the well-known fcc silver, the total energy of the bcc structure becomes below that of fcc silver. For bcc (110) a surface state is predicted at the Fermi level.
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ورودعنوان ژورنال:
- Physical review. B, Condensed matter
دوره 38 12 شماره
صفحات -
تاریخ انتشار 1988