Author/Authors :
Wang، نويسنده , , C. and Wen، نويسنده , , M. and Su، نويسنده , , Y.D. and Xu، نويسنده , , L. and Qu، نويسنده , , C.Q. and Zhang، نويسنده , , Y.J. and Qiao، نويسنده , , L. and Yu، نويسنده , , S.S. and Zheng، نويسنده , , W.T. and Jiang، نويسنده , , Q.، نويسنده ,
Abstract :
We have calculated the mechanical properties of cubic δ -NbN and hexagonal δ ′ -NbN with density functional theory (DFT). It is found that the calculated ideal strength of δ ′ -NbN is higher than that of δ -NbN, which is consistent with the experimental findings. The tensile strength perpendicular to the polar plane in δ ’-NbN is comparable to the weakest bonding direction in diamond, which provides huge potential technological and industrial applications. The electronic origins of mechanical properties are discussed.
