Theoretical Studies on the Electronic Properties of R2M14B (R = Lanthanides from La to Lu; M = Mn, Fe, Co, and Ni)
RAO Shuang, LIN Chen-Sheng, HE Zhang-Zhen and CHAI Guo-Liang*
Chin. J. Struct. Chem. 2021, 40, 160-168 DOI: 10.14102/j.cnki.0254-5861.2011-2846
partial density of states, Nd2Fe14B, density functional theory, electronic structure
ABSTRACT