Instability of the ideal tungsten (001) surface
- 29 December 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 57 (26), 3292-3295
- https://doi.org/10.1103/physrevlett.57.3292
Abstract
The energetics of reconstruction models of the ideal W(001) and Ta(001) surfaces are studied by the general-potential linearized augmented plane-wave method. The ideal W(001) surface is found to be very unstable to the low-temperature Debe and King c(2×2) structure, gaining an energy of about 1200 K upon reconstruction. It is thus not likely that the high- (room-) temperature phase is in the ideal p(1×1) structure. It is determined that the instability is due to local bonding effects and not to a Fermi-surface instability.Keywords
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