scholarly journals Perturbed angular correlation investigation of the electric field gradient at 181Ta probe in the Hf2Ni7 compound

2012 ◽  
Vol 27 (2) ◽  
pp. 95-102
Author(s):  
Bozidar Cekic ◽  
Ana Umicevic ◽  
Valentin Ivanovski ◽  
Rongwei Hu ◽  
Cedomir Petrovic ◽  
...  

The perturbed angular correlation method was employed to study the temperature dependence of electric field gradients at the 181Ta probe in the polycrystalline Hf2Ni7 compound. The temperature evolution of the sample content was measured using high-temperature X-ray diffraction. To check the magnetic order of the sample, magnetization measurements and additional perturbed angular correlation measurements with externally applied magnetic field were performed. All obtained spectra showed no evidence of magnetic order of the Hf2Ni7 phase. Within the experimental resolution of the apparatus, the measured electric field gradients at 181Ta probe for the two inequivalent 181Hf/181Ta sites in the Hf2Ni7 compound appeared as one in the range of 78-944 K. A single quadrupole interaction implies that the electric field gradients at the two Hf sites must be quite similar. At 293 K, the measured quadrupole interaction parameters are ?Q = 433(1) MHz and ? = 0.300(4). An increase of the quadrupole frequency and a gradual rising of the asymmetry parameter were observed with increasing temperature. The high-temperature X-ray diffraction indicated a build up of HfO2 above 693 K.

1998 ◽  
Vol 53 (6-7) ◽  
pp. 349-354 ◽  
Author(s):  
P. Wodniecki ◽  
A. Kulińska ◽  
B. Wodniecka ◽  
A. Z. Hrynkiewicz

Abstract The quadrupole interaction in Au-In compounds of different stoichiometrics was studied with the perturbed angular correlation technique. The electric field gradients at 111Cd probes were measured and the temperature dependences of the quadrupole frequencies were determined. A new high temperature phase of Auln above 630 K and a new metastable modification of Au7In3 were found.


1996 ◽  
Vol 52 (6) ◽  
pp. 1023-1035 ◽  
Author(s):  
M. A. Spackman ◽  
P. G. Byrom

Model X-ray data sets, with and without the inclusion of experimental thermal motion parameters, have been computed via Fourier transformation of ab initio molecular electron densities for 12 different molecular crystals. These datasets were then analysed with three different multipole models of varying sophistication and, from the multipole functions, molecular dipole and second moments, as well as electric field gradients (EFG's), at each nuclear site were computed and compared with results obtained from the original ab initio wavefunctions. The results provide valuable insight into the reliability of these properties, extracted in the same way from experimental X-ray data. Not all molecular systems display identical trends, but a general pattern is discernible. Specifically, dipole moments are typically underestimated by a small but significant amount (~ 10–15%), the trace of the second moment tensor is well determined but overestimated by a few per cent and electric field gradients at protons are confirmed to be well within reach of a careful charge density analysis of X-ray diffraction data.


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