DFT calculations predict CrB2, MoB2, and WB2 are hard, stable metallic diborides, with WB2 ductile and MoB2 showing the highest superconducting transition temperature.
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DFT based comparative analysis of physical properties of binary metallic diborides XB$_2$ (X = Cr, Mo and W)
DFT calculations predict CrB2, MoB2, and WB2 are hard, stable metallic diborides, with WB2 ductile and MoB2 showing the highest superconducting transition temperature.