Structural, electronic, vibrational, and thermodynamic properties of <inline-formula> <tex-math> <?CDATA ${\mathrm{Zr}}_{1-{\boldsymbol{x}}}{\mathrm{Hf}}_{{\boldsymbol{x}}}\mathrm{Co}$?> </tex-math><mml:math> <mml:msub> <mml:mrow> <mml:mi>Zr</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>1</mml:mn> <mml:mo>−</mml:mo> <mml:mi mathvariant="bold-italic">x</mml:mi> </mml:mrow> </mml:msub> <mml:msub> <mml:mrow> <mml:mi>Hf</mml:mi> </mml:mrow> <mml:mrow> <mml:mi mathvariant="bold-italic">x</mml:mi> </mml:mrow> </mml:msub> <mml:mi>Co</mml:mi> </mml:math> <inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="cpb_27_4_047802_ieqn1.gif"/> </inline-formula>: A first-principles-based study

Structural, electronic, vibrational, and thermodynamic properties of

Zr 1 − x Hf x Co

: A first-principles-based study

Liu Jun-Chao^{1, 2}, Yuan Zhi-Hong¹, Li Shi-Chang¹, Kong Xiang-Gang¹, Yu You³, Ma Sheng-Gui¹, Sang Ge⁴, Gao Tao^{1, †}

(color online) (a) Hf concentration dependence of Fermi energy. (b) Hf concentration dependence of TDOS at Fermi level N ( E f ) .