Electric field gradients at Ta and Cd in Ti2Pd compound
| Autor: | P. Wodniecki, M. Uhrmacher, B. Wodniecka, A. Kulińska, Vasil Koteski, Jelena Belošević-Čavor |
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| Rok vydání: | 2009 |
| Předmět: |
Intermetallics
Condensed matter physics Chemistry ab initio calculations Mechanical Engineering Metals and Alloys Analytical chemistry Intermetallic Plane wave Titanium alloy 02 engineering and technology 021001 nanoscience & nanotechnology PAC 01 natural sciences Hyperfine interactions Atomic orbital Mechanics of Materials Ab initio quantum chemistry methods Electric field 0103 physical sciences Quadrupole Materials Chemistry 010306 general physics 0210 nano-technology Hyperfine structure |
| Zdroj: | Journal of Alloys and Compounds |
| ISSN: | 0925-8388 |
| DOI: | 10.1016/j.jallcom.2008.10.099 |
| Popis: | The hyperfine quadrupole interaction parameters and their temperature dependences for (181)Ta and (111)Cd probes in Ti(2)Pd compound were determined experimentally by means of the perturbed angular correlation (PAC) technique. In addition, ab initio calculations using all-electron augmented plane wave plus local orbitals (APW + lo) method have been performed. Through the comparison of the calculated and measured electric field gradients (EFG) it was established that both Ta and Cd occupy 4(e) Ti position in the Ti(2)Pd compound. (C) 2008 Elsevier B.V. All rights reserved. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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