TY  - JOUR
AU  - Dey, Sourav Kumar
AU  - Dey, Chandi Charan
AU  - Saha, Satyajit
AU  - Banerjee, Debashis
AU  - Toprek, Dragan
PY  - 2019
UR  - http://link.springer.com/10.1007/s10751-019-1568-9
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8104
AB  - Intermetallic compound Zr 7 Ni 10 has been studied by perturbed angular correlation (PAC) spectroscopy to determine the electric field gradient and site occupation of Hf dopant in the compound. A mixture of phase components were found in this sample. The component with V zz = 6.6(1)× 10 21 V/m 2 and η = 0.71(1) at room temperature has been assigned to Zr 7 Ni 10 phase. In this sample, Zr 2 Ni 7 and Zr 8 Ni 21 phases were also found to be present along with Zr 7 Ni 10 . No phase transition is observed in the temperature range 77-1073 K in this sample. The electric field gradient (V zz ) for Zr 7 Ni 10 phase was found to decrease linearly with temperature. The phase components in Zr 7 Ni 10 have been determined also from X-ray powder diffraction (XRD) measurement. Theoretical calculations of EFG have been performed in Ta-doped Zr 7 Ni 10 using all electron full potential (linearized) augmented plane wave [FP-(L)APW] method, within the framework of the density functional theory (DFT) to compare the results with the values obtained from PAC measurements and to know the site preference of 181 Ta probe in the host matrix.
T2  - Hyperfine Interactions
T1  - Local structure study of 181Hf dopants in Zr7Ni10 by perturbed angular correlation spectroscopy and first principles calculations
VL  - 240
IS  - 1
SP  - 25
DO  - 10.1007/s10751-019-1568-9
ER  - 

@article{
author = "Dey, Sourav Kumar and Dey, Chandi Charan and Saha, Satyajit and Banerjee, Debashis and Toprek, Dragan",
year = "2019",
abstract = "Intermetallic compound Zr 7 Ni 10 has been studied by perturbed angular correlation (PAC) spectroscopy to determine the electric field gradient and site occupation of Hf dopant in the compound. A mixture of phase components were found in this sample. The component with V zz = 6.6(1)× 10 21 V/m 2 and η = 0.71(1) at room temperature has been assigned to Zr 7 Ni 10 phase. In this sample, Zr 2 Ni 7 and Zr 8 Ni 21 phases were also found to be present along with Zr 7 Ni 10 . No phase transition is observed in the temperature range 77-1073 K in this sample. The electric field gradient (V zz ) for Zr 7 Ni 10 phase was found to decrease linearly with temperature. The phase components in Zr 7 Ni 10 have been determined also from X-ray powder diffraction (XRD) measurement. Theoretical calculations of EFG have been performed in Ta-doped Zr 7 Ni 10 using all electron full potential (linearized) augmented plane wave [FP-(L)APW] method, within the framework of the density functional theory (DFT) to compare the results with the values obtained from PAC measurements and to know the site preference of 181 Ta probe in the host matrix.",
journal = "Hyperfine Interactions",
title = "Local structure study of 181Hf dopants in Zr7Ni10 by perturbed angular correlation spectroscopy and first principles calculations",
volume = "240",
number = "1",
pages = "25",
doi = "10.1007/s10751-019-1568-9"
}

Dey, S. K., Dey, C. C., Saha, S., Banerjee, D.,& Toprek, D.. (2019). Local structure study of 181Hf dopants in Zr7Ni10 by perturbed angular correlation spectroscopy and first principles calculations. in Hyperfine Interactions, 240(1), 25.
https://doi.org/10.1007/s10751-019-1568-9

Dey SK, Dey CC, Saha S, Banerjee D, Toprek D. Local structure study of 181Hf dopants in Zr7Ni10 by perturbed angular correlation spectroscopy and first principles calculations. in Hyperfine Interactions. 2019;240(1):25.
doi:10.1007/s10751-019-1568-9 .

Dey, Sourav Kumar, Dey, Chandi Charan, Saha, Satyajit, Banerjee, Debashis, Toprek, Dragan, "Local structure study of 181Hf dopants in Zr7Ni10 by perturbed angular correlation spectroscopy and first principles calculations" in Hyperfine Interactions, 240, no. 1 (2019):25,
https://doi.org/10.1007/s10751-019-1568-9 . .

TY  - JOUR
AU  - Dey, Sandhya K.
AU  - Dey, Chandi Charan
AU  - Saha, Saibal
AU  - Belošević-Čavor, Jelena
AU  - Toprek, Dragan
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1668
AB  - Time-differential perturbed angular correlation (TDPAC) measurements have been carried out in stoichiometric ZrNi3 and HfNi3 intermetallic compounds using Ta-181 probe in the temperature range 77-1073 K considering the immense technological applications of Zr-Ni and Hf-Ni intermetallic compounds. In ZrNi3, four components due to the production of Zr2Ni7, Zr8Ni21, Zr7Ni10 and ZrNi3 have been found at room temperature. The HfNi3 sample produces five electric quadrupole interaction frequencies at room temperature. The phase HfNi3 is strongly produced in stoichiometric sample of HfNi3 where two non-equivalent Hf sites are found to be present. Besides this phase, two other phases due to Hf2Ni7 and Hf8Ni21 have been found but, we do not observe any phase due to Hf7Ni10. X-ray diffraction, TEM/energy dispersive X-ray spectroscopy (EDX) and TEM-selected area electron diffraction (SAED) measurements were used to further characterize the investigated materials and it was found that these results agree with the TDPAC results. In order to confirm findings from TDPAC measurements, density functional theory (DFT) based calculations of electric field gradients (EFG) and asymmetry parameters at the sites of Ta-181 probe nucleus were performed. Our calculated results are found to be in excellent agreement with the experimental results. (C) 2017 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - Identification of phase components in Zr-Ni and Hf-Ni intermetallic compounds; investigations by perturbed angular correlation spectroscopy and first principles calculations
VL  - 723
SP  - 425
EP  - 433
DO  - 10.1016/j.jallcom.2017.06.227
ER  - 

@article{
author = "Dey, Sandhya K. and Dey, Chandi Charan and Saha, Saibal and Belošević-Čavor, Jelena and Toprek, Dragan",
year = "2017",
abstract = "Time-differential perturbed angular correlation (TDPAC) measurements have been carried out in stoichiometric ZrNi3 and HfNi3 intermetallic compounds using Ta-181 probe in the temperature range 77-1073 K considering the immense technological applications of Zr-Ni and Hf-Ni intermetallic compounds. In ZrNi3, four components due to the production of Zr2Ni7, Zr8Ni21, Zr7Ni10 and ZrNi3 have been found at room temperature. The HfNi3 sample produces five electric quadrupole interaction frequencies at room temperature. The phase HfNi3 is strongly produced in stoichiometric sample of HfNi3 where two non-equivalent Hf sites are found to be present. Besides this phase, two other phases due to Hf2Ni7 and Hf8Ni21 have been found but, we do not observe any phase due to Hf7Ni10. X-ray diffraction, TEM/energy dispersive X-ray spectroscopy (EDX) and TEM-selected area electron diffraction (SAED) measurements were used to further characterize the investigated materials and it was found that these results agree with the TDPAC results. In order to confirm findings from TDPAC measurements, density functional theory (DFT) based calculations of electric field gradients (EFG) and asymmetry parameters at the sites of Ta-181 probe nucleus were performed. Our calculated results are found to be in excellent agreement with the experimental results. (C) 2017 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "Identification of phase components in Zr-Ni and Hf-Ni intermetallic compounds; investigations by perturbed angular correlation spectroscopy and first principles calculations",
volume = "723",
pages = "425-433",
doi = "10.1016/j.jallcom.2017.06.227"
}

Dey, S. K., Dey, C. C., Saha, S., Belošević-Čavor, J.,& Toprek, D.. (2017). Identification of phase components in Zr-Ni and Hf-Ni intermetallic compounds; investigations by perturbed angular correlation spectroscopy and first principles calculations. in Journal of Alloys and Compounds, 723, 425-433.
https://doi.org/10.1016/j.jallcom.2017.06.227

Dey SK, Dey CC, Saha S, Belošević-Čavor J, Toprek D. Identification of phase components in Zr-Ni and Hf-Ni intermetallic compounds; investigations by perturbed angular correlation spectroscopy and first principles calculations. in Journal of Alloys and Compounds. 2017;723:425-433.
doi:10.1016/j.jallcom.2017.06.227 .

Dey, Sandhya K., Dey, Chandi Charan, Saha, Saibal, Belošević-Čavor, Jelena, Toprek, Dragan, "Identification of phase components in Zr-Ni and Hf-Ni intermetallic compounds; investigations by perturbed angular correlation spectroscopy and first principles calculations" in Journal of Alloys and Compounds, 723 (2017):425-433,
https://doi.org/10.1016/j.jallcom.2017.06.227 . .

TY  - JOUR
AU  - Dey, Sandhya K.
AU  - Dey, Chandi Charan
AU  - Saha, Saibal
AU  - Belošević-Čavor, Jelena
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1511
AB  - Numerous technological applications of Ni-based Zr and Hf intermetallic alloys promoted comprehensive studies in Zr8Ni21 and Hf8Ni21 by perturbed angular correlation (PAC) spectroscopy, which were not studied earlier until this report. The different phases produced in the samples have been identified by PAC and X-ray diffraction (XRD) measurements. Using Hf-181 probe, two non-equivalent Zr/Hf sites have been observed in both Zr8Ni21 and Hf8Ni21 compounds. From present PAC measurements in Zr8Ni21, a component due to the production of Zr7Ni10 by eutectic reaction from the liquid metals is also observed. The phase Zr7Ni10, however, is not found from the XRD measurement. In Zr8Ni21, while the results do not change appreciably up to 973 K exhibit drastic changes at 1073 K. In Hf8Ni21, similar results for the two non-equivalent sites have been found but site fractions are in reverse order. In this alloy, a different contaminating phase, possibly due to HfNi3, has been found from PAC measurements but is not found from XRD measurement. Density functional theory (DFT) based calculations of electric field gradient (EFG) and asymmetry parameter (eta) at the sites of Ta-181 probe nucleus allowed us to assign the observed EFG fractions to the various lattice sites in (Zr/Hf)(8)Ni-21 compounds. (C) 2017 Elsevier Ltd. All rights reserved.
T2  - Intermetallics
T1  - Electric field gradients in Zr8Ni21 and Hf8Ni21 intermetallic compounds; results from perturbed angular correlation measurements and first-principles density functional theory
VL  - 84
SP  - 112
EP  - 120
DO  - 10.1016/j.intermet.2016.12.023
ER  - 

@article{
author = "Dey, Sandhya K. and Dey, Chandi Charan and Saha, Saibal and Belošević-Čavor, Jelena",
year = "2017",
abstract = "Numerous technological applications of Ni-based Zr and Hf intermetallic alloys promoted comprehensive studies in Zr8Ni21 and Hf8Ni21 by perturbed angular correlation (PAC) spectroscopy, which were not studied earlier until this report. The different phases produced in the samples have been identified by PAC and X-ray diffraction (XRD) measurements. Using Hf-181 probe, two non-equivalent Zr/Hf sites have been observed in both Zr8Ni21 and Hf8Ni21 compounds. From present PAC measurements in Zr8Ni21, a component due to the production of Zr7Ni10 by eutectic reaction from the liquid metals is also observed. The phase Zr7Ni10, however, is not found from the XRD measurement. In Zr8Ni21, while the results do not change appreciably up to 973 K exhibit drastic changes at 1073 K. In Hf8Ni21, similar results for the two non-equivalent sites have been found but site fractions are in reverse order. In this alloy, a different contaminating phase, possibly due to HfNi3, has been found from PAC measurements but is not found from XRD measurement. Density functional theory (DFT) based calculations of electric field gradient (EFG) and asymmetry parameter (eta) at the sites of Ta-181 probe nucleus allowed us to assign the observed EFG fractions to the various lattice sites in (Zr/Hf)(8)Ni-21 compounds. (C) 2017 Elsevier Ltd. All rights reserved.",
journal = "Intermetallics",
title = "Electric field gradients in Zr8Ni21 and Hf8Ni21 intermetallic compounds; results from perturbed angular correlation measurements and first-principles density functional theory",
volume = "84",
pages = "112-120",
doi = "10.1016/j.intermet.2016.12.023"
}

Dey, S. K., Dey, C. C., Saha, S.,& Belošević-Čavor, J.. (2017). Electric field gradients in Zr8Ni21 and Hf8Ni21 intermetallic compounds; results from perturbed angular correlation measurements and first-principles density functional theory. in Intermetallics, 84, 112-120.
https://doi.org/10.1016/j.intermet.2016.12.023

Dey SK, Dey CC, Saha S, Belošević-Čavor J. Electric field gradients in Zr8Ni21 and Hf8Ni21 intermetallic compounds; results from perturbed angular correlation measurements and first-principles density functional theory. in Intermetallics. 2017;84:112-120.
doi:10.1016/j.intermet.2016.12.023 .

Dey, Sandhya K., Dey, Chandi Charan, Saha, Saibal, Belošević-Čavor, Jelena, "Electric field gradients in Zr8Ni21 and Hf8Ni21 intermetallic compounds; results from perturbed angular correlation measurements and first-principles density functional theory" in Intermetallics, 84 (2017):112-120,
https://doi.org/10.1016/j.intermet.2016.12.023 . .