Ab initio determination of Nuclear-Quadrupole Moments of In isotopes

L. A: ERRICO, M. RENTERÍA

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS

The American Physical Society

Lugar: New York; Año: 2006 vol. 73 p. 115125 - 1151256

0163-1829

La referencia correcta es: phys. Rev. B 73, 115125-1, siendo la última página 115125-6 (6 páginas). El sistema no permite ingresar caracteres alfanuméricos. We present here {it ab initio} determinations of the nuclear-quadrupole moment $Q$ of hyperfine-probe-nuclear states of three different In isotopes: the 5$^{+}$ 192 keV excited state of $^{114}$In (probe for Nuclear Quadrupole Alignment spectroscopy), the 9/2$^{+}$ ground state of $^{115}$In (Nuclear Magnetic and Nuclear Quadrupole Resonance probe), and the 3/2$^{+}$ 659 keV excited state of $^{117}$In (Perturbed-Angular-Correlations probe). These nuclear-quadrupole moments were determined by comparing experimental nuclear-quadrupole frequencies to the electric-field-gradient (EFG) tensor calculated with high accuracy at In sites in metallic Indium within the Density-Functional Theory. These {it ab initio} calculations were performed with the Full-Potential Linearized-Augmented Plane-Wave method. The results obtained for the quadrupole moments of $^{114}$In [$Q$($^{114}$In)= -0.14(1) b] are in clear discrepancy with thosereported in the literature [$Q$($^{114}$In) = +0.16(6) b and +0.739(12) b]. For $^{115}$In and $^{117}$In our results are in excellent agreement with the literature and in the last case $Q$($^{117}$In) is determined with more precision. In the case of $Q$($^{117}$In), its sign can not be determined because standard $gamma$-$gamma$ Perturbed-Angular-Correlations experiments are not sensitive to the sign of the nuclear-quadrupole frequency.