Alloying effects on the electronic structure of ZrMn2 intermetallic hydride

@inproceedings{Matsumura1998AlloyingEO,
  title={Alloying effects on the electronic structure of ZrMn2 intermetallic hydride},
  author={Takashi Matsumura and Hiroshi Yukawa and Masahiko Morinaga},
  year={1998}
}
Abstract The electronic structures of ZrMn 2 intermetallic hydride containing a variety of alloying elements are investigated by the DV-X α cluster method. It is found that hydrogen atom makes a strong chemical bond with Mn atoms rather than Zr atoms in pure ZrMn 2 hydride. The substitution of alloying elements for Mn atoms scarcely modifies the total bond strength between hydrogen and metal atoms, despite the fact that hydrogen absorption and desorption characteristics change significantly… CONTINUE READING