Absence of Metallicity in K-doped Picene: Importance of Electronic Correlations

作者：Ruff Andreas^*; Sing Michael; Claessen Ralph; Lee Hunpyo; Tomic Milan; Jeschke Harald O; Valenti Roser

来源：Physical Review Letters, 2013, 110(21): 216403.

DOI：10.1103/PhysRevLett.110.216403

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 approximate to 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.

• 出版日期2013-5-21