INSTITUTO DE FISICA LA PLATA
Unidad Ejecutora - UE
congresos y reuniones científicas
Calibration of the isomer shift of the 14.4 keV excited state of 57Fe
A. M. MUDARRA NAVARRO, C. E. RODRÍGUEZ TORRES AND L. A. ERRICO
Lima - Perú
Conferencia; XII LATIN AMERICAN CONFERENCE ON THE APPLICATIONS OF THE MÖSSBAUER EFFECT; 2010
In this work we present an ab initio determination of the calibration constant α of the 14.4 keV transition of 57Fe including also insulators compounds. With the aim of calibrating Mössbauer spectroscopic measurements, the electron contact density was calculated on the Fe nuclear position in various iron compounds. The full-potential augmented-plane waves plus local orbitals (APW+lo) method within the local-density approximation was used, considering different approximations for the exchange and correlation potential. By comparison with experimental 57Fe Mössbauer data, the calibration constant α relating measured isomer shifts to the electron contact density were derived. An isomer shift calibration constant α =−0.251 a.u.3 mm s−1 has been obtained.