Interplay of many-body and single-particle interactions in iridates and rhodates
Interplay of many-body and single-particle interactions in iridates and rhodates
复制标题
iridates 和 rhodates 中多体和单粒子相互作用的相互作用
DOI：
10.1103/physrevb.89.035143
复制
发表时间：
2014
影响因子：
3.7
通讯作者：
P. Wölfle
中科院分区：
文献类型：
--
作者：
N. B. Perkins;Y. Sizyuk;P. Wölfle
受最近探索自旋-轨道耦合磁性带内和带内过渡金属氧化物的实验的启发，我们研究了Ir和Rh基化合物中的磁性相互作用。在这些系统中，自旋-轨道耦合、晶场分裂以及库仑和洪德耦合的类似强度导致了丰富的各种磁交换相互作用，从而导致了新类型的基态。利用强耦合方法，我们从多轨道Hubbard模型出发，充分考虑了中间态中的库仑和Hund相互作用，得到了有效的低能超交换哈密顿量。我们发现，在存在强SOC和晶格扭曲的情况下，超交换哈密顿量包含各种磁各向异性。这里，我们主要对SrIrO和SrIrRhO化合物的磁性感兴趣。我们对这些系统中的磁相互作用如何依赖于微观参数进行了系统的研究，并对所得到的磁相图进行了彻底的分析。我们的结果与实验数据进行了比较，结果表明符合得很好。最后，我们讨论了在压力下实验观察到的在SrIrO中实现自旋-翻转相变的参数空间。
Motivated by recent experiments exploring the spin-orbit-coupled magnetism in- and-band transition metal oxides, we study magnetic interactions in Ir- and Rh-based compounds. In these systems, the comparable strength of spin-orbit coupling, crystal-field splitting, and Coulomb and Hund's coupling leads to a rich variety of magnetic exchange interactions, leading to new types of ground states. Using a strong coupling approach, we derive effective low-energy superexchange Hamiltonians from the multiorbital Hubbard model by taking full account of the Coulomb and Hund's interactions in the intermediate states. We find that in the presence of strong SOC and lattice distortions the superexchange Hamiltonian contains various kinds of magnetic anisotropies. Here we are primarily interested in the magnetic properties of SrIrOand SrIrRhOcompounds. We perform a systematic study of how magnetic interactions in these systems depend on the microscopic parameters and provide a thorough analysis of the resulting magnetic phase diagram. Comparison of our results with experimental data shows good agreement. Finally, we discuss the parameter space in which the spin-flop transition in SrIrO, experimentally observed under pressure, can be realized.