scholarly journals Crystalline phases in Zr9Ni11 and Hf9Ni11 intermetallics; Investigations by perturbed angular correlation spectroscopy and ab initio calculations

2019 ◽  
Vol 269 ◽  
pp. 476-485 ◽  
Author(s):  
S.K. Dey ◽  
C.C. Dey ◽  
S. Saha ◽  
G. Bhattacharjee ◽  
J. Belošević-Čavor ◽  
...  
2011 ◽  
Vol 311 ◽  
pp. 62-104 ◽  
Author(s):  
Alberto F. Pasquevich ◽  
Mario Rentería

In this chapter Perturbed Angular Correlation (PAC) experiments on binary oxides are described. These experiments provide local-scale fingerprints about the formation, identification, and lattice environment of defect complexes at the PAC probe site. The potential of the PAC observations in conjunction with ab initio calculations is shown. Measurements of the electric-field gradient at impurity sites using111Cd and181Ta probes are reviewed. Special attention is paid to oxides with the bixbyite structure. The case of In2O3is particularly analyzed. Results obtained with HfO2, in form of coarse grain or nano particles, are described. The potential results that can be obtained from Density Functional Theory ab initio calculations in doped systems are shown describing the main results observed in many impurity-host systems.


1991 ◽  
Vol 50 (1-4) ◽  
pp. 159-164 ◽  
Author(s):  
R. Magerle ◽  
M. Deicher ◽  
U. Desnica ◽  
R. Keller ◽  
W. Pfeiffer ◽  
...  

2000 ◽  
Vol 55 (1-2) ◽  
pp. 237-241
Author(s):  
P. de la Presa ◽  
K. P. Lieb ◽  
M. Uhrmacher ◽  
L. Ziegeler

The quadrupole hyperfine interactions of 111Cd/111 In probe nuclei in single-crystalline SrTiO3 perovskite samples were investigated using Perturbed Angular Correlation spectroscopy. Three electric field gradients were detected and their fractions and hyperfine parameters were measured in the temperature range from 26 to 700 K. The fraction f0 having a vanishing quadrupole frequency, as expected for 111Cd on substitutional sites in a cubic lattice, starts to develop around 300 K and reaches 100% at 700 K. Two well-defined EFG's having closely lying quadrupole frequencies and asymmetry parameters of ωQi = 49.1(3) Mrad/s, 77, η0= 0.10(2) and ωQ2 = 51.8(3) Mrad/s, η2 = 0.12(2), at room temperature, were identified in the temperature range from 250 to 530 K, and their (100) orientation in the lattice was determined. They are associated with electronic defects at the probe atoms.


1997 ◽  
Vol 6 (10) ◽  
pp. 1436-1439 ◽  
Author(s):  
T. Licht ◽  
N. Achtziger ◽  
D. Forkel-Wirth ◽  
K. Freitag ◽  
J. Grillenberger ◽  
...  

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