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Ab-initio studies of some rare-earth borides: CeB2, PrB2, NdB2, and PmB2

Özışık, Hacı; Deligöz, Engin; Çolakoğlu, Kemal; Sürücü, Gökhan (Carl Hanser Verlag, 2013)

The structural, mechanical and thermal properties of CeB2, PrB2, NdB2, and PmB2 compounds in hexagonal AlB2-type (P6/mmm) and ReB2-type structures (P6(3)/mmc) are investigated using density functional theory. The results ...