Physikalisches Institut, Universität Würzburg, Am Hubland, 97074 Würzburg, Germany.
Phys Rev Lett. 2013 May 24;110(21):216403. doi: 10.1103/PhysRevLett.110.216403. Epub 2013 May 21.
Potassium-doped picene (K(x)picene) has recently been reported to be a superconductor at x=3 with critical temperatures up to 18 K. Here we study the electronic structure of K-doped picene films by photoelectron spectroscopy and ab initio density functional theory combined with dynamical mean-field theory (DFT+DMFT). Experimentally we observe that, except for spurious spectral weight due to the lack of a homogeneous chemical potential at low K concentrations (x≈1), the spectra always display a finite energy gap. This result is supported by our DFT+DMFT calculations which provide clear evidence that K(x)picene is a Mott insulator for integer doping concentrations x=1, 2, and 3. We discuss various scenarios to understand the discrepancies with previous reports of superconductivity and metallic behavior.
钾掺杂并五苯(K(x)picene)最近被报道在 x=3 时成为超导体,临界温度高达 18 K。在这里,我们通过光电子能谱和基于第一性原理的密度泛函理论结合动态平均场理论(DFT+DMFT)来研究钾掺杂并五苯薄膜的电子结构。实验上,我们观察到,除了由于低浓度 K(x≈1)时缺少均匀化学势而导致的虚假谱权重外,光谱总是显示出有限的能隙。我们的 DFT+DMFT 计算提供了明确的证据,证明 K(x)picene 在整数掺杂浓度 x=1、2 和 3 时是莫特绝缘体,这一结果得到了支持。我们讨论了各种情况来理解与之前报道的超导性和金属行为之间的差异。