Effects of trace elements on the crystal field parameters of Nd ions at the surface of Nd${}_2$Fe${}_{14}$B grains

Yuta Toga, Tsuneaki Suzuki, Akimasa Sakuma

Using first-principles calculations, we investigate the positional dependence of trace elements such as O and Cu on the crystal field parameter $A_2^0$, proportional to the anisotr…