Electronic structure and stability of Mg–Ce intermetallic compounds from first-principles calculations

@inproceedings{Zhou2007ElectronicSA,
  title={Electronic structure and stability of Mg–Ce intermetallic compounds from first-principles calculations},
  author={Dianwu Zhou and Ping Peng and Jie Liu},
  year={2007}
}
Abstract Electronic structure and stability have been determined from first-principles calculations for Mg–Ce intermetallic compounds with different types structure. These calculations show that the structure types of Mg 3 Ce, Mg 2 Ce, MgCe, MgCe 2 , MgCe 3 intermetallic compounds with the strongest alloying ability and the highest structural stability are DO c , C15, Ba, C15 and DO 3 , respectively, which is also well explained through the densities of states (DOS) of these compounds.