The effect of the properties of La_xNd_8‒xB₆ (x = 1,2,6)

Nanocrystalline LaB₆, NdB₆, Nd-doped LaB₆ and La-doped NdB₆ have been studied using the density functional theory (DFT) to study their electronic, optical and mechanical characteristics. The purpose of this paper is to address this issue.

Nanocrystalline LaB₆, NdB₆, Nd-doped LaB₆ and La-doped NdB₆ have been studied using the DFT to study their electronic, optical and mechanical characteristics. The calculated lattice constants of LaB₆, NdB₆, Nd-doped LaB₆ and La-doped NdB₆ were 4.157, 4.118, 4.267 and 4.449, respectively. The lattice constant of La₇Nd₁B₆ was increased when Nd is doped into LaB₆. B p comprised the uppermost valence bands (VBs), whereas B s comprised the lowermost conduction bands (CBs). The authors’ results showed that La doping reduced the work function of NdB₆ and increased its thermionic emission characteristics.

The authors’ results showed that La doping reduced the work function of NdB₆ and increased its thermionic emission characteristics.

The work function of LaB₆ was 2.7 eV, which is higher than that of La₁Nd₇B₆ (2.64 eV).