Related papers: Visualizing molecular orientational ordering and e…
We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with…
Tunneling and optical transmission studies have been performed on superconducting samples of Rb3C60. At temperatures much below the superconducting transition temperature Tc the energy gap is 2 Delta=5.2 +- 0.2meV, corresponding to 2…
133Cs and 13C-NMR have been used to study the electronic properties of the polymerized phase of CsC60 at ambient and under hydrostatic pressure. The salient result of this study is the finding of fluctuations in the local field at 133Cs…
We review some theoretical aspects connected with the interplay of strong electron correlations and vibron phenomena in negative fullerene ions and in solid fulleride conductors, superconductors and insulators. The first part covers…
We report an insulator-metal-insulator transition in films of five metal phthalocyanines (MPc) doped with alkali atoms. Electrical conduction measurements demonstrate that increasing the alkali concentration results in the formation of a…
Strutinsky shell corrections for the Cesium-coated fullerenes were investigated. The single particle levels of electrons are obtained using the spherical mean-field potential of a shifted Wood-Saxon type. The parameters of the potential are…
We report the synthesis and the electrical properties of fullerene-based molecular junctions on silicon substrate in which the highly \pi-conjugated molecule C60 (\pi quantum well) is isolated from the electrodes by alkyl chains (\sigma…
In this first-principles study, we investigated the thermoelectric properties of the full-Heusler compound CsK$_2$Sb at different compressive strains. This material exhibits a valence band structure with significant effective mass…
We study the electronic structure and doping-dependent instabilities of strained La$_3$Ni$_2$O$_7$ thin films using first-principles and functional renormalization group methods. We demonstrate that ordering tendencies are governed by Fermi…
We study the electronic states of isolated fullerene anions C$^{n-}_{60}$ ($1\le n \le 6$) taking into account the effective interaction between electrons due to exchange of intramolecular phonons. If the vibronic coupling is strong enough…
We present 13C NMR spin-lattice relaxation measurements (1/T1) in Na2CsC60 and Rb3C60 from 10 to 700K. The large temperature range of this measurement allow to define unambiguously an increase of 1/T1T with increasing temperature, which is…
The interplay between the band Jahn-Teller distortion and the superconductivity is studied for the system whose Fermi level lies in two-fold degenerate band. Assuming that the lattice distortion is coupled to the orbital electron density…
An investigation of the structural, magnetic, thermodynamic, and charge transport properties of non-centrosymmetric hexagonal ScFeGe reveals it to be an anisotropic metal with a transition to a weak itinerant incommensurate helimagnetic…
The electronic structure of Sc1-xVxNy epitaxial films with different alloying concentrations of V are investigated with respect to effects on thermoelectric properties. Band structure calculations on Sc0.75V0.25N indicate that V 3d states…
We report the evolution of superconducting properties as a function of disorder in homogeneously disordered epitaxial NbN thin films grown on (100) MgO substrates, studied through a combination of electrical transport, Hall Effect and…
Recent experiments have observed superconductivity proximate to the nu = -2/3 fractional quantum anomalous Hall (FQAH) insulator in twisted MoTe2. A critical open question is whether the underlying normal state is a Fermi liquid with a…
A recent Letter reports photoemission data for the free C60 molecule, showing an interesting three-peak structure, presented as evidence of dynamic Jahn-Teller (DJT) effect in the C60+ ion. Those data constitute, along with earlier spectra…
Through 13C NMR spin lattice relaxation (T1) measurements in cubic Na2C60, we detect a gap in its electronic excitations, similar to that observed in tetragonal A4C60. This establishes that Jahn-Teller distortions (JTD) and strong…
We show that C$_{60}$ fullerene molecules can serve as promising building blocks in the construction of versatile crystal structures with unique symmetries using first-principles calculations. These phases include quasi-2D layered…
Analysis of the band structure of TiS$_3$ single-layers suggests the possibility of changing their physical behaviour by injecting electron carriers. The anisotropy of the valence and conduction bands is explained in terms of their complex…