钴卟啉分子的多体电子结构和近藤性质
Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules
摘要：
本文采用第一性原理多体方法和数值重整化群方法研究了钴卟啉化合物在Cu（111）表面的近藤机制。我们发现近藤温度是高度敏感的分子充电和距离的表面，这可以解释在最近的扫描隧道光谱测量中观察到的变化。我们讨论了控制这种现象的分子电子结构中的多体效应的重要性，并提出了在实验中可以实现提高温度的方案。
英文摘要：
We use a combination of first principles many-body methods and the numerical renormalization-group technique to study the Kondo regime of cobalt-porphyrin compounds adsorbed on a Cu(111) surface. We find the Kondo temperature to be highly sensitive to both molecule charging and distance to the surface, which can explain the variations observed in recent scanning tunneling spectroscopy measurements. We discuss the importance of many-body effects in the molecular electronic structure controlling this phenomenon and suggest scenarios where enhanced temperatures can be achieved in experiments.
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