Microscopic description of fission in neutron-rich plutonium isotopes with the Gogny-D1M energy density functional

The most recent parametrization D1M of the Gogny energy density functional is used to describe fission in the isotopes $^{232-280}$ Pu. We resort to the methodology introduced in our previous studies [Phys. Rev. C \textbf{88}, 054325 (2013) and Phys. Rev. C \textbf {89}, 054310 (2014)] to compute the fission paths, collective masses and zero point quantum corrections within the Hartree-Fock-Bogoliubov framework. The systematics of the spontaneous fission half-lives t$_{SF}$, masses and charges of the fragments in Plutonium isotopes is analyzed and compared with available experimental data. We also pay attention to isomeric states, the deformation properties of the fragments as well as to the competition between the spontaneous fission and $\alpha$-decay modes. The impact of pairing correlations on the predicted t$_{SF}$ values is demonstrated with the help of calculations for $^{232-280}$Pu in which the pairing strengths of the Gogny-D1M energy density functional are modified by 5 $\%$ and 10 $\%$, respectively. We further validate the use of the D1M parametrization through the discussion of the half-lives in $^{242-262}$Fm. Our calculations corroborate that, though the uncertainties in the absolute values of physical observables are large, the Gogny-D1M Hartree-Fock-Bogoliubov framework still reproduces the trends with mass and/or neutron numbers and therefore represents a reasonable starting point to describe fission in heavy nuclear systems from a microscopic point of view.Comment: 14 pages, 11 figures. arXiv admin note: text overlap with arXiv:1312.722

Microscopic description of fission in nobelium isotopes with the Gogny-D1M energy density functional

Constrained mean-field calculations, based on the Gogny-D1M energy density functional, have been carried out to describe fission in the isotopes $^{250-260}$No. The even-even isotopes have been considered within the standard Hartree-Fock-Bogoliobov (HFB) framework while for the odd-mass ones the Equal Filling Approximation (HFB-EFA) has been employed. Ground state quantum numbers and deformations, pairing energies, one-neutron separation energies, inner and outer barrier heights as well as fission isomer excitation energies are given. Fission paths, collective masses and zero-point quantum vibrational and rotational corrections are used to compute the systematic of the spontaneous fission half-lives t$_\mathrm{SF}$ both for even-even and odd-mass nuclei. Though there exists a strong variance of the predicted fission rates with respect to the details involved in their computation, it is shown that both the specialization energy and the pairing quenching effects, taken into account within the self-consistent HFB-EFA blocking procedure, lead to larger t$_\mathrm{SF}$ values in odd-mass nuclei as compared with their even-even neighbors. Alpha decay lifetimes have also been computed using a parametrization of the Viola-Seaborg formula. The high quality of the Gogny-D1M functional regarding nuclear masses leads to a very good reproduction of $Q_{\alpha}$ values and consequently of lifetimes.Comment: 13 pages, 9 figure

Microscopic description of fission in Uranium isotopes with the Gogny energy density functional

The most recent parametrizations D1S, D1N and D1M of the Gogny energy density functional are used to describe fission in the isotopes $^{232-280}$ U. Fission paths, collective masses and zero point quantum corrections, obtained within the constrained Hartree-Fock-Bogoliubov approximation, are used to compute the systematics of the spontaneous fission half-lives $t_\mathrm{SF}$, the masses and charges of the fission fragments as well as their intrinsic shapes. The Gogny-D1M parametrization has been benchmarked against available experimental data on inner and second barrier heights, excitation energies of the fission isomers and half-lives in a selected set of Pu, Cm, Cf, Fm, No, Rf, Sg, Hs and Fl nuclei. It is concluded that D1M represents a reasonable starting point to describe fission in heavy and superheavy nuclei. Special attention is also paid to understand the uncertainties in the predicted $t_\mathrm{SF}$ values arising from the different building blocks entering the standard semi-classical Wentzel-Kramers-Brillouin formula. Although the uncertainties are large, the trend with mass or neutron numbers are well reproduced and therefore the theory still has predictive power. In this respect, it is also shown that modifications of a few per cent in the pairing strength can have a significant impact on the collective masses leading to uncertainties in the $t_\mathrm{SF}$ values of several orders of magnitude.Comment: 22 pages, 17 figures; Minor modifications to previous versio

Role of Strain on Electronic and Mechanical Response of Semiconducting Transition-Metal Dichalcogenide Monolayers: an ab-initio study

We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX2 (M=Mo, W, Sn, Hf and X=S, Se, Te) with 2H and 1T structures using fully relativistic first principles calculations based on density functional theory. We focus on the role of strain on the band structure and band alignment across the series 2D materials. We find that strain has a significant effect on the band gap; a biaxial strain of 1% decreases the band gap in the 2H structures, by as a much 0.2 eV in MoS2 and WS2, while increasing it for the 1T materials. These results indicate that strain is a powerful avenue to modulate their properties; for example, strain enables the formation of, otherwise impossible, broken gap heterostructures within the 2H class. These calculations provide insight and quantitative information for the rational development of heterostructures based on these class of materials accounting for the effect of strain.Comment: 16 pages, 4 figures, 1 table, supplementary materia

Shape evolution in Yttrium and Niobium neutron-rich isotopes

The isotopic evolution of the ground-state nuclear shapes and the systematics of one-quasiproton configurations are studied in neutron-rich odd-A Yttrium and Niobium isotopes. We use a selfconsistent Hartree-Fock-Bogoliubov formalism based on the Gogny energy density functional with two parametrizations, D1S and D1M. The equal filling approximation is used to describe odd-A nuclei preserving both axial and time reversal symmetries. Shape-transition signatures are identified in the N=60 isotopes in both charge radii and spin-parities of the ground states. These signatures are a common characteristic for nuclei in the whole mass region. The nuclear deformation and shape coexistence inherent to this mass region are shown to play a relevant role in the understanding of the spectroscopic features of the ground and low-lying one-quasiproton states. Finally, a global picture of the neutron-rich A=100 mass region from Krypton up to Molybdenum isotopes is illustrated with the systematics of the nuclear charge radii isotopic shifts.Comment: 21 pages, 14 figures. To be published in Phys. Rev.

On The Harmonic Oscillator Group

We discuss the maximum kinematical invariance group of the quantum harmonic oscillator from a view point of the Ermakov-type system. A six parameter family of the square integrable oscillator wave functions, which seems cannot be obtained by the standard separation of variables, is presented as an example. The invariance group of generalized driven harmonic oscillator is shown to be isomorphic to the corresponding Schroedinger group of the free particle.Comment: 11 pages, no figure

Shape evolution and the role of intruder configurations in Hg isotopes within the interacting boson model based on a Gogny energy density functional

The interacting boson model with configuration mixing, with parameters derived from the self-consistent mean-field calculation employing the microscopic Gogny energy density functional, is applied to the systematic analysis of the low-lying structure in Hg isotopes. Excitation energies, electromagnetic transition rates, deformation properties, and ground-state properties of the $^{172-204}$Hg nuclei are obtained by mapping the microscopic deformation energy surface onto the equivalent IBM Hamiltonian in the boson condensate. These results point to the overall systematic trend of the transition from the near spherical vibrational state in lower-mass Hg nuclei close to $^{172}$Hg, onset of intruder prolate configuration as well as the manifest prolate-oblate shape coexistence around the mid-shell nucleus $^{184}$Hg, weakly oblate deformed structure beyond $^{190}$Hg up to the spherical vibrational structure toward the near semi-magic nucleus $^{204}$Hg, as observed experimentally. The quality of the present method in the description of the complex shape dynamics in Hg isotopes is examined.Comment: 19 pages, 14 figures, revised version including new results and discussions, title changed, accepted for publication in Phys. Rev.