Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3
Апстракт
The hyperfine quadrupole interaction parameters and their temperature dependence for Hf-181/Ta-181 probe in TiAl3 compound were determined using the time differential perturbed angular correlation (TDPAC) method. in addition, ab initio calculations using the augmented plane wave plus local orbitals (APW+ lo) method as implemented in the WIEN2k code, within the framework of the density functional theory(DFT) have been performed. Through the comparison of the calculated and measured electric field gradients (EFG) it was established that Ta occupies Ti 2(a) position, while Cd probe is settled at the Al 4(d) site. (c) 2009 Elsevier B.V. All rights reserved.
Кључне речи:
Titanium aluminides / Full-potential calculations / Electric field gradientsИзвор:
Journal of Alloys and Compounds, 2009, 479, 1-2, 56-59Финансирање / пројекти:
- Структурне, динамичке и спектроскопске карактеристике интерметалика и полупроводника (RS-MESTD-MPN2006-2010-141022)
DOI: 10.1016/j.jallcom.2009.01.018
ISSN: 0925-8388
WoS: 000267063300029
Scopus: 2-s2.0-67349205040
Колекције
Институција/група
VinčaTY - JOUR AU - Wodniecki, P. AU - Kulinska, A. AU - Wodniecka, B. AU - Belošević-Čavor, Jelena AU - Koteski, Vasil J. PY - 2009 UR - https://vinar.vin.bg.ac.rs/handle/123456789/3725 AB - The hyperfine quadrupole interaction parameters and their temperature dependence for Hf-181/Ta-181 probe in TiAl3 compound were determined using the time differential perturbed angular correlation (TDPAC) method. in addition, ab initio calculations using the augmented plane wave plus local orbitals (APW+ lo) method as implemented in the WIEN2k code, within the framework of the density functional theory(DFT) have been performed. Through the comparison of the calculated and measured electric field gradients (EFG) it was established that Ta occupies Ti 2(a) position, while Cd probe is settled at the Al 4(d) site. (c) 2009 Elsevier B.V. All rights reserved. T2 - Journal of Alloys and Compounds T1 - Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3 VL - 479 IS - 1-2 SP - 56 EP - 59 DO - 10.1016/j.jallcom.2009.01.018 ER -
@article{ author = "Wodniecki, P. and Kulinska, A. and Wodniecka, B. and Belošević-Čavor, Jelena and Koteski, Vasil J.", year = "2009", abstract = "The hyperfine quadrupole interaction parameters and their temperature dependence for Hf-181/Ta-181 probe in TiAl3 compound were determined using the time differential perturbed angular correlation (TDPAC) method. in addition, ab initio calculations using the augmented plane wave plus local orbitals (APW+ lo) method as implemented in the WIEN2k code, within the framework of the density functional theory(DFT) have been performed. Through the comparison of the calculated and measured electric field gradients (EFG) it was established that Ta occupies Ti 2(a) position, while Cd probe is settled at the Al 4(d) site. (c) 2009 Elsevier B.V. All rights reserved.", journal = "Journal of Alloys and Compounds", title = "Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3", volume = "479", number = "1-2", pages = "56-59", doi = "10.1016/j.jallcom.2009.01.018" }
Wodniecki, P., Kulinska, A., Wodniecka, B., Belošević-Čavor, J.,& Koteski, V. J.. (2009). Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3. in Journal of Alloys and Compounds, 479(1-2), 56-59. https://doi.org/10.1016/j.jallcom.2009.01.018
Wodniecki P, Kulinska A, Wodniecka B, Belošević-Čavor J, Koteski VJ. Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3. in Journal of Alloys and Compounds. 2009;479(1-2):56-59. doi:10.1016/j.jallcom.2009.01.018 .
Wodniecki, P., Kulinska, A., Wodniecka, B., Belošević-Čavor, Jelena, Koteski, Vasil J., "Experimental and ab initio study of the electric field gradients at Ta and Cd impurities in TiAl3" in Journal of Alloys and Compounds, 479, no. 1-2 (2009):56-59, https://doi.org/10.1016/j.jallcom.2009.01.018 . .