Superlight pairs in face-centred-cubic extended Hubbard models with strong Coulomb repulsion

The majority of fulleride superconductors with unusually high transition-temperature to kinetic-energy ratios have a face-centred-cubic (FCC) structure. We demonstrate that, within extended Hubbard models with strong Coulomb repulsion, paired fermions in FCC lattices have qualitatively different properties than pairs in other three-dimensional cubic lattices. Our results show that strongly bound, light, and small pairs can be generated in FCC lattices across a wide range of the parameter space. We estimate that such pairs can Bose condense at high temperatures even if thelattice constant is large (as in the fullerides).

On the Efficient Computation of Large Scale Singular Sums with Applications to Long-Range Forces in Crystal Lattices

We develop a new expansion for representing singular sums in terms of integrals and vice versa. This method provides a powerful tool for the efficient computation of large singular sums that appear in long-range interacting systems in condensed matter and quantum physics. It also offers a generalised trapezoidal rule for the precise computation of singular integrals. In both cases, the difference between sum and integral is approximated by derivatives of the non-singular factor of the summand function, where the coefficients in turn depend on the singularity. We show that for a physically meaningful set of functions, the error decays exponentially with the expansion order. For a fixed expansion order, the error decays algebraically both with the grid size, if the method is used for quadrature, or the characteristic length scale of the summand function in case the sum over a fixed grid is approximated by an integral. In absence of a singularity, the method reduces to the Euler–Maclaurin summation formula. We demonstrate the numerical performance of our new expansion by applying it to the computation of the full nonlinear long-range forces inside a domain wall in a macroscopic one-dimensional crystal with $$2\times 10^{10}$$ 2 × 10 10 particles. The code of our implementation in Mathematica is provided online. For particles that interact via the Coulomb repulsion, we demonstrate that finite size effects remain relevant even in the thermodynamic limit of macroscopic particle numbers. Our results show that widely-used continuum limits in condensed matter physics are not applicable for quantitative predictions in this case.

Bubble structure in superheavy nuclei around neutron and proton shell closure

We have performed a systematic study for the nuclear structure of superheavy nuclei with a special emphasis on the nuclei with possible central depletion of proton and neutron density in the mass region [Formula: see text] using the Relativistic Hartree–Bogoliubov (RHB) framework. It has been observed that in the case of neutron density distribution, the occurrence of central depletion is related to the occupancy of 4s orbital and it is found to decrease with increasing occupancy of the 4s orbital. On the other hand, in the case of proton density distribution, the central density depletion is mainly due to the lowering of weakly bound p-orbital states close to the continuum as it is energetically favored to lower the Coulomb repulsion in the case of superheavy nuclei. Also, occupation probability of the lower angular momentum states (p-orbitals) lying near the Fermi level is strongly suppressed due to the weak centrifugal barrier and strong Coulomb repulsion in comparison to large angular momentum states (contributing to surface region mainly), resulting in central density depletion. Among the considered cases in the present work, the maximum depletion is observed for [Formula: see text] and for [Formula: see text]Og under spherically symmetric and axially deformed cases, respectively.

Tuning Charge Order in (TMTTF)2X by Partial Anion Substitution

In the quasi-one-dimensional (TMTTF)2X compounds with effectively quarter-filled bands, electronic charge order is stabilized from the delicate interplay of Coulomb repulsion and electronic bandwidth. The correlation strength is commonly tuned by physical pressure or chemical substitution with stoichiometric ratios of anions and cations. Here, we investigate the charge-ordered state through partial substitution of the anions in (TMTTF)2[AsF6]1−x[SbF6]x with x≈0.3, determined from the intensity of infrared vibrations, which is sufficient to suppress the spin-Peierls state. Our dc transport experiments reveal a transition temperature TCO = 120 K and charge gap ΔCO=430 K between the values of the two parent compounds (TMTTF)2AsF6 and (TMTTF)2SbF6. Upon plotting the two parameters for different (TMTTF)2X, we find a universal relationship between TCO and ΔCO yielding that the energy gap vanishes for transition temperatures TCO≤60 K. While these quantities indicate that the macroscopic correlation strength is continuously tuned, our vibrational spectroscopy results probing the local charge disproportionation suggest that 2δ is modulated on a microscopic level.

Temperature-dependent electron properties for 4f states in cerium mononitride

In order to elucidate the temperature-dependent valence state of Ce ion and the occupation number of Ce 4f electrons in cerium mononitride (CeN), we perform an ab initio calculation on CeN by using a many-body scheme combing density functional theory (DFT) with dynamical mean field theory (DMFT), taking into account the spin-orbit coupling (SOC) interaction and on-site Coulomb repulsion between Ce 4f electrons. Results demonstrate that Ce 4f j=5/2 and j=7/2 manifolds undergo insulating-metallic transition with the increasing of temperature. Ce 4f-conduction electrons hybridization, f-f correlation, SOC interaction and final state effects yield a complicated spectrum function in CeN. Ce 4f atomic configuration transition and hybridization might be responsible for the temperature-dependent occupancy number of Ce 4f electrons and the mixed-valence state in CeN. A fact that localization of Ce 4f electrons, i.e., 4f1 configuration or Ce3+ valence, increases with the increasing of temperature could account for the experimentally observed lattice constant versus temperature data. Finally, the so-called quasiparticle band structure is also discussed for comparison with experimental angle-resolved photoemission spectrum (ARPES).

Spin-Thermoelectric Effects in a Quantum Dot Hybrid System With Magnetic Insulator

We investigate spin thermoelectric properties of a hybrid system consisting of a single-level quantum dot attached to magnetic insulator and metal electrodes. Magnetic insulator is assumed to be of ferromagnetic type and is a source of magnons, whereas metallic lead is reservoir of electrons. The temperature gradient set between the magnetic insulator and metallic electrodes induces the spin current flowing through the system. The generated spin current of magnonic (electric) type is converted to electric (magnonic) spin current by means of quantum dot. Expanding spin and heat currents flowing through the system, up to linear order, we introduce basic spin thermoelectric coefficients including spin conductance, spin Seebeck and spin Peltier coefficients and heat conductance. We analyse the spin thermoelectric properties of the system in two cases: in the large ondot Coulomb repulsion limit and when these interactions are finite.

Generation of ultrashort pulses in the THz frequency range

There are results for the spontaneous coherent super-radiative undulator emission in the terahertz frequency range from a short (as compared to the wavelength of the radiated wave) dense electron bunch. If the group velocity of the wave is close to the bunch velocity, this is a process of spontaneous radiation followed by amplification of a single wave cycle. Despite the Coulomb repulsion of electrons inside the bunch, its compactness is provided by the compression of the bunch under the action of its own radiation fields. As a result, formation of an ultra-short (several cycles long) powerful wave packet occurs when the bunch moves through several undulator periods with high (∼20% in optimized systems) efficiency of extraction of the electron energy and high intensity (∼ 100 MV/m) of the peak wave field.

Modification of SiO2, ZnO, Fe2O3 and TiN Films by Electronic Excitation under High Energy Ion Impact

It has been known that the modification of non-metallic solid materials (oxides, nitrides, etc.), e.g., the formation of tracks, sputtering representing atomic displacement near the surface and lattice disordering are induced by electronic excitation under high-energy ion impact. We have investigated lattice disordering by the X-ray diffraction (XRD) of SiO2, ZnO, Fe2O3 and TiN films and have also measured the sputtering yields of TiN for a comparison of lattice disordering with sputtering. We find that both the degradation of the XRD intensity per unit ion fluence and the sputtering yields follow the power-law of the electronic stopping power and that these exponents are larger than unity. The exponents for the XRD degradation and sputtering are found to be comparable. These results imply that similar mechanisms are responsible for the lattice disordering and electronic sputtering. A mechanism of electron–lattice coupling, i.e., the energy transfer from the electronic system into the lattice, is discussed based on a crude estimation of atomic displacement due to Coulomb repulsion during the short neutralization time (~fs) in the ionized region. The bandgap scheme or exciton model is examined.

Tracks on films and multi-charged clusters

When conducting experiments on the electric explosion of titanium foil in water, a “strange” radiation was detected, leaving dotted traces on the film. The velocity of the carriers of this radiation was estimated as 20–40 m/s, and their energy, estimated by the Coulomb drag mechanism, turned out to be equal to 700 MeV. Subsequently, it was found that similar traces are formed at various types of high-current arc discharges, both of artificial and natural origin. Many solutions have been proposed to explain the nature of “strange” radiation, but none of them describes the details of the process of formation of dotted traces. We believe that these traces on the film could appear due to the action of charged micron-sized clusters. The possibility of the existence of clusters in the form of a nucleus from a certain number of similarly charged ions enclosed in a spherical shell of water molecules is shown. The force of the Coulomb repulsion of ions is compensated by the compression force of the shell polarized by the inhomogeneous electric field created by the nuclear charge. As the cluster approaches the surface of the film, a cluster with a small charge separates from it. It is accelerated in the electric field of a “large” cluster to energy of about 1 GeV. Having received a recoil momentum, a large cluster moves away from the film, braking in an inhomogeneous electric field, and then “falls” onto it again, and the process is repeated.