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Electric field gradients at In-111/Cd-111 probe atoms on A-sites in 211-MAX phases
Journal article   Peer reviewed

Electric field gradients at In-111/Cd-111 probe atoms on A-sites in 211-MAX phases

D. Juergens, M. Uhrmacher, H-G Gehrke, M. Nagl, U. Vetter, C. Bruesewitz, H. Hofsaess, J. Mestnik-Filho and M. W. Barsoum
Journal of physics. Condensed matter, v 23(50)
21 Dec 2011
DOI: https://doi.org/10.1088/0953-8984/23/50/505501
PMID: 22119739

Abstract

Physical Sciences Physics Physics, Condensed Matter Science & Technology
The method of perturbed angular correlation (PAC) was applied to selected MAX phases with 211 stoichiometry. Radioactive In-111 ions were implanted in order to measure the electric field gradients (EFG) in the key compounds Ti2InC and Zr2InC to determine the strength and symmetry of the EFG at the In-site. Further PAC studies in the In-free MAX phases Ti2AlN, Nb2AlC, Nb2AsC and Cr2GeC were performed to confirm that the In probes occupy the A-site as well. The strength of the EFG, with a quadrupole coupling constant nu(Q) between 250 and 300 MHz in these phases, is quite similar to the ones found in Ti2InC with nu(Q) = 292(1)/MHz and in Zr2InC with nu(Q) = 344(1)/MHz, respectively. Different annealing behavior was observed whereas in all cases a linear decrease of nu(Q) with increasing measuring temperatures was found. The experimental results are also in excellent agreement with those predicted by ab initio calculations using the APW+lo method implemented in the WIEN2k code. This study shows in an exceptional manner that In-111 -> Cd-111 atoms are suitable probes to investigate the local surrounding at the A-site in 211-MAX phases.

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Physics, Condensed Matter
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