作者: Turan Birol , Kristjan Haule , David Vanderbilt
DOI: 10.1103/PHYSREVB.98.134432
关键词:
摘要: Iridates abound with interesting magnetic behaviours because of their strong spin-orbit coupling. Sr$_3$NiIrO$_6$ brings together the spin-orbital entanglement Ir$^{4+}$ ion a 3$d$ Ni cation and one-dimensional crystal structure. It has ferrimagnetic ground state 55 T coercive field. We perform theoretical study interactions in this compound, elucidate role anisotropic symmetric exchange as source its anisotropy. Our first-principles calculations reproduce magnon spectra compound predict signature cross sections that can differentiate from single-ion anisotopy.