The effect of the f-component of the pseudopotential on selected properties of 5d transition metal systems
Cohesive energies, bulk moduli, and equilibrium lattice constants have been calculated for the 5d transition atoms (Hf, Ta, W, Re, Os, Ir and Pt) in face–centred cubic crystal lattices. We have used the ab initio pseudopotential method for the total energy calculations within the local density appro...
| Language: | en |
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| Published: |
2010
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| Subjects: | |
| Online Access: | http://hdl.handle.net/10413/214 |