Search results for "shell model"
showing 10 items of 146 documents
Dependence of single-particle energies on coupling constants of the nuclear energy density functional
2008
We show that single-particle energies in doubly magic nuclei depend almost linearly on the coupling constants of the nuclear energy density functional. Therefore, they can be very well characterized by the linear regression coefficients, which we calculate for the coupling constants of the standard Skyrme functional. We then use these regression coefficients to refit the coupling constants to experimental values of single-particle energies. We show that the obtained rms deviations from experimental data are still quite large, of the order of 1.1 MeV. This suggests that the current standard form of the Skyrme functional cannot ensure spectroscopic-quality description of single-particle energ…
First observation of excited states in 108Sb
1995
A spectroscopic study of Sb-108 has been carried out as a part of a larger experiment where in total twenty-nine different residual nuclei were identified. This study gives the first information on excited levels in this nucleus. A low-lying two-quasi-particle multiplet together with some of the higher lying levels are discussed within the framework of the nuclear shell model. A rotational, strongly coupled, band is identified as, most likely, being built on the deformed pig9/2(-1) nuh11/2 configuration in accordance with total routhian surface calculations. Tentative spins and parities are presented as well as B(M1)/B(E2) ratios for some of the transitions in the strongly coupled band.
Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations
2000
Abstract The (110) surface relaxations were calculated for SrTiO 3 and BaTiO 3 perovskites in a cubic phase. Using a shell model, the positions of atoms in 16 near- surface layers placed atop a slab of rigid ions are calculated. The strong surface rumpling and induced surface dipole moments perpendicular to the surface are predicted for both the O-terminated and TiO-terminated surfaces.
Atomistic Simulations of the LaMnO3 (110) Polar Surface.
2003
The results of atomic structure calculations, with a focus on the surface relaxation and polarization, are presented for the LaMnO3 (110) O-terminated polar surface. We compare results of the classical shell model calculations for four possible terminations, including (1 × 2) (110) surface reconstruction, and demonstrate that the latter has the lowest surface energy. The surface energy is saturated only when six to eight near-surface atomic planes are relaxed which is accompanied by the considerable dipole moments perpendicular to the surface. Results are compared with those for iso-structural BaTiO3 (110) surfaces.
ATOMISTIC CALCULATIONS OF (110) SURFACE RELAXATION FOR PEROVSKITE TITANATES
1999
Using a shell model, for the first time the (110) surface relaxations are calculated for SrTiO 3 and BaTiO 3 perovskites. The positions of atoms in 16 near-surface layers placed atop a slab of rigid ions are calculated. Strong surface rumpling and surface-induced dipole moments perpendicular to the surface are predicted for both the O-terminated and Ti-terminated surfaces.
Surface Relaxation in Ferroelectric Perovskites: An Atomistic Study
1996
ABSTRACTThe effect of the [001] surface relaxation on the polarization of the paraelectric BaTiO3 is simulated in the framework of the shell model. Our atomistic simulations show a large polarization of ions in the first several layers nearby the surface and confirm the possibility of co-existence of Ti-and Ba-terminated [001] BaTiO3 surfaces which have very close surface energies.
Calculations of atomic and electronic structure for (100) surfaces of SrTiO3 perovskite
2002
AbstractWe present and discuss main results of the calculations for the surface relaxation and rumpling of SrTiO3 surfaces with TiO2 and SrO terminations using a wide variety of methods of modern computational physics and chemistry, including the shell model (SM) and ab initio methods based on Hartree-Fock (HF) and Density Functional Theory (DFT). The HF and DFT formalisms with different exchange-correlation functionals are implemented into Crystal-98 computer code using a Gaussian-type basis set. We demonstrate that a hybrid B3PW formalism gives the best results for the bulk SrTiO3 properties. Results are compared with previous ab initio plane-wave LDA calculations and LEED experiments. Ou…
The Nuclear Mean Field and Many-Nucleon Configurations
2007
After the two preceding chapters, throughout impregnated with messy-looking, though necessary mathematics, we are finally entering the realm of basic concepts of nuclear structure physics. While the preceding chapters may have been a shock to the reader not familiar with the fine details of angular momentum coupling, the present chapter should offer a soothing soft landing to the basic philosophy behind the nuclear shell model, namely the nuclear mean field.
Microscopic calculation of the $\beta^-$ decays of $^{151}$Sm, $^{171}$Tm, and $^{210}$Pb with implications to detection of the cosmic neutrino backg…
2023
The electron spectral shapes corresponding to the low-$Q$ $\beta^-$-decay transitions $^{151}$Sm$(5/2^-_{\rm g.s.})\to\,^{151}\textrm{Eu}(5/2^+_{\rm g.s.})$, $^{151}$Sm$(5/2^-_{\rm g.s.})\to\,^{151}\textrm{Eu}(7/2^+_{1})$, $^{171}$Tm$(1/2^+_{\rm g.s.})\to\,^{171}\textrm{Yb}(1/2^-_{\rm g.s.})$, $^{171}$Tm$(1/2^+_{\rm g.s.})\to\,^{171}\textrm{Yb}(3/2^-_{1})$, $^{210}\textrm{Pb}(0^+_{\rm g.s.})\to\,^{210}\textrm{Bi}(1^-_{\rm g.s.})$, and $^{210}\textrm{Pb}(0^+_{\rm g.s.})\to\,^{210}\textrm{Bi}(0^-_{1})$ have been computed using beta-decay theory with several refinements for these first-forbidden nonunique (ff-nu) $\beta^-$ transitions. These ff-nu $\beta^-$ transitions have non-trivial electro…
Precise branching ratios to unbound 12C states from 12N and 12B β-decays
2009
6 pages, 2 tables, 4 figures.--PACS nrs.: 21.45.-v; 23.40.-s; 27.20.+n; 21.60.De.--Printed version published Aug 3, 2009