Structure and properties of a beryllium dilayer
All-electron, density-functional calculations on an hcp Be dilayer find c/a at equilibrium to be 1.690.03, a=4.200.02 a.u. (Kohn, Sham, Gaspar) or c/a=1.690.02, a=4.100.03 a.u. (Hedin and Lundqvist). In either case there is very weak interplanar bonding. While these structural properties are noticeably different from those of the bulk crystal, the dilayer work function (Hedin and Lundqvist) is essentially identical to the experimental bulk value. © 1985 The American Physical Society.
Physical Review B
Structure and properties of a beryllium dilayer.
Physical Review B,
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