Surface atomic structures, surface energies, and equilibrium crystal shape of molybdenum
Authors:
- 15 January 1998
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 57 (3) , 1875-1880
Abstract
Using first-principles calculations, we calculated the atomic structures and surface energies of molybdenum surfaces in the (100), (110), (111), and (211) orientations. The equilibrium crystal shape of molybdenum is then found using the Wulff construction. We find that all four orientations appear on the Wulff plot and hence they are stable.Keywords
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