First-principles calculation of the equilibrium ground-state properties of transition metals: Applications to Nb and Mo
CL Fu, KM Ho - Physical Review B, 1983 - APS
CL Fu, KM Ho
Physical Review B, 1983•APSWe have used a self-consistent pseudopotential method to calculate the equilibrium ground-
state properties of the transition metals Mo and Nb. From our calculations we obtain
equilibrium lattice constants, cohesive energies, and bulk moduli which are in excellent
agreement with experiment.
state properties of the transition metals Mo and Nb. From our calculations we obtain
equilibrium lattice constants, cohesive energies, and bulk moduli which are in excellent
agreement with experiment.
Abstract
We have used a self-consistent pseudopotential method to calculate the equilibrium ground-state properties of the transition metals Mo and Nb. From our calculations we obtain equilibrium lattice constants, cohesive energies, and bulk moduli which are in excellent agreement with experiment.
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