非磁性B位杂质诱导CE锰氧化物的铁磁倾向
Non-magnetic B-site Impurities Induce Ferromagnetic Tendencies in CE Manganites
摘要：
利用双轨道模型和蒙特卡罗模拟，我们研究了半掺杂CE型锰氧化物中H2O B位取代的影响。由这种取代引起的晶格缺陷使CE相不稳定，其转变为（1）铁磁（FM）金属竞争态，或（2）具有短程FM簇的状态，或（3）自旋玻璃态，这取决于耦合和B位取代的价态。虽然C型反铁磁状态通常与平均$e_{\rm g}$电荷密度小于0.5有关，但在我们的模拟中发现，降低$e_{\rm g}$电荷密度的XB位取代仍然会增强FM趋势。目前的计算与实验定性一致，并提供了一个合理化的复杂的作用，在调制的相变锰氧化物中的C3 B-网站的替代。
英文摘要：
Using a two-orbital model and Monte Carlo simulations, we investigate the effect of nonmagnetic B-site substitution on half-doped CE-type manganites. The lattice defects induced by this substitution destabilize the CE phase, which transforms into (1) the ferromagnetic (FM) metallic competing state, or (2) a regime with short-range FM clusters, or (3) a spin-glass state, depending on couplings and on the valence of the B-site substitution. While a C-type antiferromagnetic state is usually associated with an average $e_{\rm g}$ charge density less than 0.5, the nonmagnetic B-site substitution that lowers the $e_{\rm g}$ charge density is still found to enhance the FM tendency in our simulations. The present calculations are in qualitative agreement with experiments and provide a rationalization for the complex role of nonmagnetic B-site substitution in modulating the phase transitions in manganites.
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