论文标题
温度引起的薰衣草磁性变化 - 稀土 - 铁质跨金属的初始计算
Temperature-induced changes in the magnetism of Laves phase rare-earth--iron intermetallics by ab~initio calculations
论文作者
论文摘要
Laves RFE2化合物（R是稀土）具有与晶格几何形状和磁性之间相互作用相关的技术相关特性。我们应用AB〜启动计算来探索RFE2系统中Fe的磁性特性随温度变化。我们发现，轨道磁矩M_ORB与自旋磁矩M_SPIN之间的比率随YFE2，GDFE2，TBFE2，DYFE2和HOFE2的温度而增加。这种增加是显着的，应通过X射线磁圆二色性在实验上观察到它。我们推测，随温度的预测增加了M_ORB/M_SPIN的比例与具有波动的磁矩波动的原子的同一自旋通道状态的杂交以及其原子样特征的相关增加有关。
Laves RFe2 compounds, where R is a rare earth, exhibit technologically relevant properties associated with the interplay between their lattice geometry and magnetism. We apply ab~initio calculations to explore how magnetic properties of Fe in RFe2 systems vary with temperature. We found that the ratio between the orbital magnetic moment m_orb and the spin magnetic moment m_spin increases with increasing temperature for YFe2, GdFe2, TbFe2, DyFe2, and HoFe2. This increase is significant and it should be experimentally observable by means of x-ray magnetic circular dichroism. We conjecture that the predicted increase of the m_orb/m_spin ratio with temperature is linked to the reduction of hybridization between same-spin-channel states of atoms with fluctuating magnetic moments and to the associated increase of their atomic-like character.
