论文标题
Yttrium铁石榴石的电子结构和有限温度磁
Electronic structure and finite temperature magnetism of yttrium iron garnet
论文作者
论文摘要
Yttrium Iron Garnet是一种复杂的铁磁性绝缘子，具有20种镁模式，可广泛用于磁化动力学的基本实验研究。作为具有中等间隙（2.8 eV）的过渡金属氧化物，Yttrium Iron Garnet需要仔细处理电子相关性。我们已经应用了Quasiparticle自一致的GW来从头开始描述电子结构和产生的磁性特性，包括用于磁交换相互作用的Heisenberg模型的参数化。随后使用量子统计数据的自旋动力学建模将我们的描述扩展到木谱和热力学特性，例如居里温度，发现与实验测量值有利一致。这项工作为复杂磁绝缘子建模的最新技术提供了快照。
Yttrium iron garnet is a complex ferrimagnetic insulator with 20 magnon modes which is used extensively in fundamental experimental studies of magnetisation dynamics. As a transition metal oxide with moderate gap (2.8 eV), yttrium iron garnet requires a careful treatment of electronic correlation. We have applied quasiparticle self-consistent GW to provide a fully ab initio description of the electronic structure and resulting magnetic properties, including the parameterisation of a Heisenberg model for magnetic exchange interactions. Subsequent spin dynamical modelling with quantum statistics extends our description to the magnon spectrum and thermodynamic properties such as the Curie temperature, finding favourable agreement with experimental measurements. This work provides a snapshot of the state-of-the art in modelling of complex magnetic insulators.
