DFT investigation on the rare earth effects of Mg8Si3RE (RE=Sc, La, Ce, Yb) compounds

Chen, B; Li, BK; Wang, JK; Zhang, CAH

Zhang, CAH (corresponding author), Univ Sci & Technol Beijing, Natl Ctr Mat Serv Safety, Beijing 102206, Peoples R China.

SOLID STATE COMMUNICATIONS, 2021; 330 ():

Abstract

The mechanical and electronic properties of beta phase (Mg2Si) doping with rare earth (RE) atoms (Sc, La, Ce, Yb) were investigated by first-principle......

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