First-principles studies of effects of interstitial boron and carbon on the structural, elastic, and electronic properties of Ni solution and Ni<sub>3</sub>Al intermetallics

First-principles studies of effects of interstitial boron and carbon on the structural, elastic, and electronic properties of Ni solution and Ni₃Al intermetallics

Huang Meng-Li, Wang Chong-Yu^†,

Partial densities of states of the various materials. The longitudinal black dashed lines represent the hybridization peaks, and the zeros on the abscissae indicate the Fermi levels E_f of each system. B-2p and C-2p denote the 2p orbitals of boron and carbon, respectively, while Ni-3d signifies the 3d orbital of the NN Ni atoms.