Transition metals and their carbides and nitrides: Trends in electronic and structural properties

@article{Grossman1999TransitionMA,
  title={Transition metals and their carbides and nitrides: Trends in electronic and structural properties},
  author={J. Grossman and A. Mizel and M. C{\^o}t{\'e} and Marvin L. Cohen and S. Louie},
  journal={Physical Review B},
  year={1999},
  volume={60},
  pages={6343-6347}
}
A study of the structural and electronic properties of selected transition metals and their carbides and nitrides is presented. We focus on assessing trends of possible importance for understanding their hardness. Lattice constants, bulk moduli (B[sub o]), and charge densities are calculated using the local density approximation with a pseudopotential plane wave approach. An fcc lattice is employed for the transition metal elements in order to make comparisons and study trends relateable to… Expand

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