多轨道Mott系统中低自旋到高自旋跃迁的歧化和金属化
Disproportionation and Metallization at Low-Spin to High-Spin Transition in Multiorbital Mott Systems
摘要：
我们研究了在双轨道哈伯德模型中的热驱动自旋态跃迁，该模型提供了对LaCoO 3物理的最小描述。我们采用动力学平均场论和量子Monte-Carlo杂质解。在中等温度下，我们发现一个自旋双折射相的特点是棋盘顺序的网站与小和大的自旋矩。高温下从结晶相到均相的转变伴随着电荷间隙的消失。随着晶场分裂的增加，结晶相的温度范围缩小并最终完全消失。
英文摘要：
We study the thermally driven spin state transition in a two-orbital Hubbard model with crystal field splitting, which provides a minimal description of the physics of LaCoO3. We employ the dynamical mean-field theory with quantum Monte-Carlo impurity solver. At intermediate temperatures we find a spin disproportionated phase characterized by checkerboard order of sites with small and large spin moments. The high temperature transition from the disproportionated to a homogeneous phase is accompanied by vanishing of the charge gap. With the increasing crystal-field splitting the temperature range of the disproportionated phase shrinks and eventually disappears completely.
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