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Structural, elastic, thermodynamic and lattice dynamic properties of PrX (X = Sb, Bi)

Koçak, Belgin; Çiftçi, Yasemin Öztekin; Çolakoǧlu, Kemal; Deligöz, Engin (Carl Hanser Verlag, 2013)

First principles calculations for rare earth compounds PrSb and PrBi in NaCl(B1), CsCl(B2), ZB (B3), WC(Bh) and CuAu(L1(0)) structures have been performed using density functional theory within the generalized gradient ...