相关论文: Structural and electronic changes of pentacene ind…
The crystal structure of potassium doped picene with an exact stoichiometry (K3C22H14, K3picene from here onwards) has been theoretically determined within Density Functional Theory allowing complete variational freedom of the crystal…
Alkali doped aromatic compounds have shown evidence of metallic and superconducting phases whose precise nature is still mysterious. In potassium and rubidium doped phenanthrene, superconducting temperatures around 5 K have been detected,…
We theoretically explore the crystal structures of K$_x$picene, for which a new aromatic superconductivity has recently been discovered for $x=3$, by systematically performing first-principles full structural optimization covering the…
Potassium-doped terphenyl has recently attracted attention as a potential host for high-transition-temperature superconductivity. Here, we elucidate the many-body electronic structure of recently synthesized potassium-doped terphenyl…
The potassium-doped p-terphenyl compounds were synthesized in recent experiments and the superconductivity with high transition temperatures were reported, but the atomic structure of potassium-doped p-terphenyl is unclear. In this paper,…
By the first principles calculations and X-ray diffraction simulations, we perform a systematic study of multiple superconducting phases of potassium-doped picene [Nature {\bf464} 76, 2010]. The combination of optimized lattice parameters,…
Detailed electronic structure calculations of picene clusters doped by potassium modeling the crystalline K3picene structure show that while two electrons are completely transferred from potassium atoms to the LUMO of pristine picene, the…
We have investigated the evolution of the temperature-dependent conductivity of electron-doped pentacene (PEN) thin films, in which the electron density is controlled by means of potassium (K) intercalation. We find that the conductivity is…
The geometrical and electronic structure of tripotassium doped phenanthrene, \ce{K3C14H10}, have been studied by first-principles density functional theory. The main effect of potassium doping is to inject charge in the narrow phenanthrene…
To explore underlying mechanism for the superconducting phase in recent discovered aromatic hydrocarbons, we carry out the first-principles calculations on benzene, the basic and the simplest unit of the series and examine the structural…
Recently, there is a series of reports by Wang et al. on the superconductivity in K-doped p-terphenyl (KxC18H14) with the transition temperatures range from 7 to 123 Kelvin. Identifying the structural and bonding character is the key to…
A systemically theoretical study has been presented to explored the crystal structures and electronic characteristics of polycyclic aromatic hydrocarbons (PAHs), such as solid phenanthrene, picene, 1,2;8,9-dibenzopentacene, and…
To explore the electronic structure of the first aromatic superconductor, potassium-doped solid picene which has been recently discovered by Mitsuhashi et al with the transition temperatures $T_c=7 - 20$ K, we have obtained a…
We demonstrate the preparation of large, free standing iron pnictide single crystals with a size up to 20 x 10 x 1 mm3 using solvents in zirconia crucibles under argon atmosphere. Transport and magnetic properties are investigated to study…
We report a combined theoretical and experimental search for thermoelectric materials based on semiconducting zinc antimony. Influence of three new doping elements (sodium, potassium and boron) on the electronic properties is investigated…
We have obtained the first-principles electronic structure of solid coronene, which has been recently discovered to exhibit superconductivity with potassium doping. Since coronene, along with picene, the first aromatic superconductor, now…
We report electronic structure and physical properties of metal doped picene as well as selective synthesis of the phase exhibiting 18 K superconducting transition. First, Raman scattering is used to characterize the number of electrons…
We investigate electronic transport through pentacene thin-films intercalated with potassium. From temperature-dependent conductivity measurements we find that potassium-intercalated pentacene shows metallic behavior in a broad range of…
The morphology and electronic structure of pentacene (Pn) deposited on Cu(111) was studied using scanning tunneling microscopy (STM) and spectroscopy (STS). Deposition of a multilayer followed by annealing to reduce coverage to a monolayer…
The electronic excitations of manganese phthalocyanine (MnPc) films were studied as a function of potassium doping using electron energy-loss spectroscopy in transmission. Our data reveal doping induced changes in the excitation spectrum,…