IFLP   13074
INSTITUTO DE FISICA LA PLATA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
First-principles determination of the nuclear quadrupole moment of the PAC isotope 111Cd
Autor/es:
L. A. ERRICO, E. L. MUÑOZ, D. RICHARD, M. RENTERÍA, S. COTENIER, Y M. UHRMACHER.
Lugar:
Ciudad Autónoma de Buenos Aires, Argentina
Reunión:
Workshop; International Workshop "At the Frontiers of Condensed Matter Physics IV"; 2008
Institución organizadora:
Comite internacional
Resumen:
<!-- /* Font Definitions */ @font-face {font-family:Times-Roman; panose-1:0 0 0 0 0 0 0 0 0 0; mso-font-charset:0; mso-generic-font-family:roman; mso-font-format:other; mso-font-pitch:auto; mso-font-signature:3 0 0 0 1 0;} @font-face {font-family:Times-Italic; panose-1:0 0 0 0 0 0 0 0 0 0; mso-font-charset:0; mso-generic-font-family:roman; mso-font-format:other; mso-font-pitch:auto; mso-font-signature:3 0 0 0 1 0;} @font-face {font-family:MathematicalPi-Three; panose-1:0 0 0 0 0 0 0 0 0 0; mso-font-charset:0; mso-generic-font-family:auto; mso-font-format:other; mso-font-pitch:auto; mso-font-signature:3 0 0 0 1 0;} @font-face {font-family:CMR10; panose-1:0 0 0 0 0 0 0 0 0 0; mso-font-charset:0; mso-generic-font-family:auto; mso-font-format:other; mso-font-pitch:auto; mso-font-signature:3 0 0 0 1 0;} @font-face {font-family:CMR7; panose-1:0 0 0 0 0 0 0 0 0 0; mso-font-charset:0; mso-generic-font-family:auto; mso-font-format:other; mso-font-pitch:auto; mso-font-signature:3 0 0 0 1 0;} /* Style Definitions */ p.MsoNormal, li.MsoNormal, div.MsoNormal {mso-style-parent:""; margin:0pc; margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:12.0pt; font-family:"Times New Roman"; mso-fareast-font-family:"Times New Roman";} @page Section1 {size:51.0pc 66.0pc; margin:6.0pc 5.25pc 6.0pc 7.5pc; mso-header-margin:3.0pc; mso-footer-margin:3.0pc; mso-paper-source:0;} div.Section1 {page:Section1;} --> Trabajo presentado en forma de poster durante la reunion Nuclear methods (such as Mössbauer spectroscopy, nuclear magnetic and nuclear quadrupole resonance, or g-g perturbed-angular correlations [TDPAC], among others) have been extensively applied to study materials to elucidate the (sub)nanoscopic scale environment of impurities or constituent atoms of solids. These techniques are based on the observation of the coupling between nuclear moments and extra-nuclear fields. The information provided is given as a product of a nuclear and an extra-nuclear quantity. In the case of electric-quadrupole interactions, the nuclear quantity is the nuclear quadrupole moment (Q), characteristic of a given nuclear state with spin I, which interacts with the electric-field gradient (EFG) at the nuclear position. This product is proportional to the the so-called quadrupole coupling constant frequency nQ.             All the information that nQ can provide about the system under study could be obtained by confrontation with an accurate prediction of the EFG, such as those obtained with ab initio electronic-structure calculations. Of course, accurate values of the nuclear-quadrupole moments Q are essential for a correct comparison between the experimentally “determined” EFG and its theoretical prediction. For this reason, the knowledge of reliable Q values is of great importance in atomic, molecular, and condensed-matter physics, besides the direct interest in nuclear physics, where the determination of Q values can be used to check nuclear models. However, for many important probe nuclei, the Q values are not known or are known with limited accuracy and/or limited precision and their determination is still an open field of research. This is the case of the (111In®)111Cd isotope. This isotope is the most frequently used tracer in TDPAC experiments and has been largely used to study semiconductor physics. Although the importance of this isotope, the nuclear quadrupole moment of the sensitive state (the 5/2+ 245 keV excited state) is known with limited precision (relative error of 17%).             In this work we present an ab initio determination of the nuclear-quadrupole moment of the I=5/2+ excited state of  111Cd. This determination was obtained using the common procedure of correlating ab initio calculated EFGs and experimentally determined quadrupole coupling constants. Our Q value [Q(5/2+,  111Cd) = 0.83(4) b] is in excellent agreement with those reported in the literature [Q=0.83(13) b] but is  obtained with largely better precision.