Phase Transformations in Pyrochlores Irradiated with Swift Heavy Ions: Influence of Composition and Chemical Bonding

• Authors: G. Sattonnay , L. Thomé , N. Sellami , I. Monnet , C. Grygiel , C. Legros , R. Tetot
• Languages of publication: EN

Abstracts

EN

Gd_2Ti_2O_7 and Gd_2Zr_2O_7 pyrochlores were irradiated with swift heavy ions in order to investigate the effects of the chemical composition on the structural changes induced by high electronic excitation. The XRD results show that the structural modifications induced by irradiation with 93 MeV Xe ions are strongly dependent on the sample composition: Gd_2Ti_2O_7 is readily amorphized, whereas Gd_2Zr_2O_7 is transformed into a radiation-resistant anion-deficient fluorite structure. Atomistic simulations with the second-moment tight-binding QEq model allow us to calculate the lattice properties of both Gd_2Ti_2O_7 and Gd_2Zr_2O_7, and also to quantify the degree of covalency and ionicity in these compounds. These calculations clearly show that Gd_2Ti_2O_7 is more covalent than Gd_2Zr_2O_7, thus confirming that the amorphization resistance can be related to the covalent character of insulators.

Keywords

EN

61.80.-x; 61.82.Ms; 61.05.cp; 05.10.-a

Discipline

• 61.82.Ms: Insulators
• 05.10.-a: Computational methods in statistical physics and nonlinear dynamics(see also 02.70.-c in mathematical methods in physics)
• 61.05.cp: X-ray diffraction
• 61.80.-x: Physical radiation effects, radiation damage(for photochemical reactions, see 82.50.-m; for effects of ionizing radiation on biological systems, see 87.53.-j)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2013
• Volume: 123
• Issue: 5
• Pages: 862-866

Dates

published

2013-05

Contributors

author

G. Sattonnay

• Univ. Paris Sud, ICMMO-LEMHE, Bât. 410, F-91405 Orsay, France

author

L. Thomé

• CSNSM, CNRS, IN2P3, Université Paris-Sud, Bât. 108, F-91405 Orsay, France

author

N. Sellami

• Univ. Paris Sud, ICMMO-LEMHE, Bât. 410, F-91405 Orsay, France

author

I. Monnet

• CIMAP, CEA, CNRS, Université de Caen, BP 5133, F-14070 Caen Cedex 5, France

author

C. Grygiel

• CIMAP, CEA, CNRS, Université de Caen, BP 5133, F-14070 Caen Cedex 5, France

author

C. Legros

• Univ. Paris Sud, ICMMO-LEMHE, Bât. 410, F-91405 Orsay, France

author

R. Tetot

• Univ. Paris Sud, ICMMO-LEMHE, Bât. 410, F-91405 Orsay, France

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Identifiers

DOI

10.12693/APhysPolA.123.862