2011
DOI: 10.1088/0953-8984/23/50/505501
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Electric field gradients at111In/111Cd probe atoms on A-sites in 211-MAX phases

Abstract: The method of perturbed angular correlation (PAC) was applied to selected MAX phases with 211 stoichiometry. Radioactive (111)In ions were implanted in order to measure the electric field gradients (EFG) in the key compounds Ti(2)InC and Zr(2)InC to determine the strength and symmetry of the EFG at the In-site. Further PAC studies in the In-free MAX phases Ti(2)AlN, Nb(2)AlC, Nb(2)AsC and Cr(2)GeC were performed to confirm that the In probes occupy the A-site as well. The strength of the EFG, with a quadrupole… Show more

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Cited by 9 publications
(40 citation statements)
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“…Pd and Rh) were analysed to investigate the effects of the relaxation on the lattice-site locations of the impurities, which could have affected the defect complex configuration. Table 1 Consequently, the six NN atoms contracted towards the impurity-vacancy complex; the relaxations are given in Therefore, as a result of the higher spread of the Rh 4d sub-states, they participate more in the hybridization than the Pd but the Pd 4d sub-states are buried deeper in the valence band and stronger bond than that of the Rh [44,45]. This was also observed in Si.…”
Section: Electric-field Gradients and Electronic-structure Calculationsmentioning
confidence: 87%
“…Pd and Rh) were analysed to investigate the effects of the relaxation on the lattice-site locations of the impurities, which could have affected the defect complex configuration. Table 1 Consequently, the six NN atoms contracted towards the impurity-vacancy complex; the relaxations are given in Therefore, as a result of the higher spread of the Rh 4d sub-states, they participate more in the hybridization than the Pd but the Pd 4d sub-states are buried deeper in the valence band and stronger bond than that of the Rh [44,45]. This was also observed in Si.…”
Section: Electric-field Gradients and Electronic-structure Calculationsmentioning
confidence: 87%
“…Angesichts der kurzreichweitigen, aber höchst sensitiven elektrischen Quadrupolwechselwirkung werden dabei vollständig neue Einblicke in die Natur der MAX-Phasen erwartet, die aufgrund des hohen Durchdringungsvermögens der verwendeten γ-Strahlung auch temperaturabhängig oder unter dem Einfluss einer äußeren Spannung gewonnen werden können. Durch eine systematische Untersuchung mehrerer MAX-Phasen konnte in Kombination mit DFT-Rechnungen bereits gezeigt werden, dass die PAC-Sonde 111 In/ 111 Cd auf besondere Weise geeignet ist, eine Vielzahl unterschiedlicher MAX-Phasen gleichermaßen im Hinblick auf den Feldgradienten am A-Platz zu charakterisieren [44][45][46][47].…”
Section: Kapitel 1 Einleitungunclassified
“…Zwischen den M-und den X-Elementen bilden sich starke kovalente Bindungen aus, die durch die M-d-und X-p-Orbitale gebildet werden [42,46]. Die Bindungen zwischen a Alle hier untersuchten MAX-Phasen weisen einen Index n = 1 auf, womit keine Polymorphie auftritt.…”
Section: Struktur Und Bindungenunclassified
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