Page 155 - 00. Complete Version - Progress Report IPEN 2014-2016

Nuclear Science and Technology | Progress Report 155

are also being investigate with PAC spectroscopy us-
ing 111Cd as probe nuclei. These nanoparticles are import-
ant materials for biomedical applications such as drug de-
livery, hyperthermia treatment of tumors and imaging.

5 Rare-earth nanoparticles such as Gd2O3 and Er2O3 are also be-

ing studied targeting imaging and radiotherapy enhancement.

6 PAC spectroscopy is also used to investigate biomol-

ecules of EDTA, nucleobases, and peptides.

7 Very precise ab-inito method of electronic structure calcu-
lations based on the density functional theory using a lo-
cal density approximation are being used to help in the in-
terpretation of hyperfine interaction parameters through the
WIEN2k code. The first-principles full potential linear aug-
mented plane-wave (FP-LAPW) calculations of the electron-
ic structure and hyperfine fields have been performed for the
intermetallic compounds RECd, REIn3 (RE = rare-earth ele-
ment) and LaMn2X2 (X = Ge,Si). Ab-initio calculations for ox-
ides such as HfO2, CoO and In2O3 are also being carried out.

Theoretical Experimental
45 L-RE H-RE GdCd

30

25 SmCd TbCd
B H (0) [T] 20 NdCd DyCd

15
PrCd
HoCd - I
10 HoCd - II
Fig 4. (left) TEM images for Fe3O4 nanoparticles. (F. B.Effenberg-
er, A. W. Carbonari, L. M. Rossi, J. Magn. Magn. Mater. 417, 49, 2016). ErCd
(Center) Experimental, measured by PAC, and theoretical, calculat- 5 CeCd
ed by WIEN2k, spin dependence of saturation values of magnetic hy-
perfine field Bhf. F. H. M. Cavalcante et al. Phys. Rev. B 94, 064417, 0
2016). (right) Cd probes in DNA molecules of mice infected with the -2.0 -1.0 0 1.0 2.0 3.0 4.0
Y-strain of Trypanosoma cruzi used for PAC measurements and DFT
calculations. P. A. D. Petersen et al. Biochemistry 53, 3446, 2014). (g-1)J