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Absence of metallicity in K-doped picene: Importance of electronic correlations

Authors :
Ruff, Andreas
Sing, Michael
Claessen, Ralph
Lee, Hunpyo
Tomić, Milan
Jeschke, Harald O.
Valentí, Roser
Source :
Phys. Rev. Lett 110, 216403 (2013)
Publication Year :
2012

Abstract

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 {\it 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 ($x \approx 1$), 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.<br />Comment: 6 pages, 3 figures, suplemental material (4 pages, 3 figures)

Details

Database :
arXiv
Journal :
Phys. Rev. Lett 110, 216403 (2013)
Publication Type :
Report
Accession number :
edsarx.1210.4065
Document Type :
Working Paper
Full Text :
https://doi.org/10.1103/PhysRevLett.110.216403