Peierls-Hubbard三棱镜的基态性质
Ground-state properties of a Peierls-Hubbard triangular prism
摘要：
最近的化学尝试组装卤素桥接过渡金属配合物内的纳米管的动机，我们的模型和特征的铂卤化物三棱柱的佩尔斯哈伯德哈密顿。基于群论的论点，我们揭示了各种价安排，包括异质或部分金属电荷密度波状态。量子和热相位竞争的数值证明，特别强调新的绝缘体到金属和绝缘体到绝缘体的过渡下掺杂，前者是第一顺序，而后者是第二顺序。
英文摘要：
Motivated by recent chemical attempts at assembling halogen-bridged transition-metal complexes within a nanotube, we model and characterize a platinum-halide triangular prism in terms of a Peierls-Hubbard Hamiltonian. Based on a group-theoretical argument, we reveal a variety of valence arrangements, including heterogeneous or partially metallic charge-density-wave states. Quantum and thermal phase competitions are numerically demonstrated with particular emphasis on novel insulator-to-metal and insulator-to-insulator transitions under doping, the former of which is of the first order, while the latter of which is of the second order.
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