Damage evolution of ion irradiated defected-fluorite La2Zr2O7 epitaxial thin films

作者: Tiffany C. Kaspar , Jonathan G. Gigax , Lin Shao , Mark E. Bowden , Tamas Varga

DOI: 10.1016/J.ACTAMAT.2017.01.012

关键词:

摘要: Abstract Pyrochlore-structure oxides, A2B2O7, may exhibit remarkable radiation tolerance due to the ease with which they can accommodate disorder by transitioning a defected fluorite structure. The mechanism of defect formation was explored evaluating damage behavior high quality epitaxial La2Zr2O7 thin films structure, irradiated 1 MeV Zr+ at doses up 10 displacements per atom (dpa). level film evaluated as function dose Rutherford backscattering spectrometry in channeling geometry (RBS/c) and scanning transmission electron microscopy (STEM). At lower doses, surface amorphized, amorphous fraction fit well stimulated amorphization model. As increased, slowed, appeared interface. Even dpa, core remained crystalline, despite prediction from To inform future ab initio simulations La2Zr2O7, bandgap thick measured be indirect 4.96 eV, direct transition 5.60 eV.

参考文章(38)
Yan Li, Piotr M Kowalski, George Beridze, April R Birnie, Sarah Finkeldei, Dirk Bosbach, None, Defect formation energies in A2B2O7 pyrochlores Scripta Materialia. ,vol. 107, pp. 18- 21 ,(2015) , 10.1016/J.SCRIPTAMAT.2015.05.010
J. W. Seo, J. Fompeyrine, A. Guiller, G. Norga, C. Marchiori, H. Siegwart, J.-P. Locquet, Interface formation and defect structures in epitaxial La2Zr2O7 thin films on (111) Si Applied Physics Letters. ,vol. 83, pp. 5211- 5213 ,(2003) , 10.1063/1.1635966
Rodney C. Ewing, William J. Weber, Jie Lian, Nuclear waste disposal—pyrochlore (A2B2O7): Nuclear waste form for the immobilization of plutonium and “minor” actinides Journal of Applied Physics. ,vol. 95, pp. 5949- 5971 ,(2004) , 10.1063/1.1707213
Günther J. Redhammer, Georg Roth, Georg Amthauer, Yttrium pyrogermanate, Y2Ge2O7 Acta Crystallographica Section C-crystal Structure Communications. ,vol. 63, ,(2007) , 10.1107/S0108270107042825
Alain Chartier, Constantin Meis, Jean-Paul Crocombette, L. René Corrales, William J. Weber, Atomistic modeling of displacement cascades in La 2 Zr 2 O 7 pyrochlore Physical Review B. ,vol. 67, pp. 174102- ,(2003) , 10.1103/PHYSREVB.67.174102
H.Y. Xiao, W.J. Weber, Y. Zhang, X.T. Zu, Ab initio molecular dynamics simulations of ion-solid interactions in zirconate pyrochlores Acta Materialia. ,vol. 87, pp. 273- 282 ,(2015) , 10.1016/J.ACTAMAT.2015.01.019
M.A. Subramanian, G. Aravamudan, G.V. Subba Rao, Oxide pyrochlores — A review Progress in Solid State Chemistry. ,vol. 15, pp. 55- 143 ,(1983) , 10.1016/0079-6786(83)90001-8
A. Chartier, C. Meis, J.-P. Crocombette, W. J. Weber, L. R. Corrales, Molecular dynamic simulation of disorder induced amorphization in pyrochlore. Physical Review Letters. ,vol. 94, pp. 025505- ,(2005) , 10.1103/PHYSREVLETT.94.025505
X. J. Wang, H. Y. Xiao, X. T. Zu, Y. Zhang, W. J. Weber, Ab initio molecular dynamics simulations of ion–solid interactions in Gd2Zr2O7 and Gd2Ti2O7 Journal of Materials Chemistry C. ,vol. 1, pp. 1665- 1673 ,(2013) , 10.1039/C2TC00192F
Y. Wang, Y.F. Lu, L. Zhou, C.S. Li, Z.M. Yu, J.Q. Feng, L.H. Jin, P.F. Wang, H. Wang, Effect of annealing atmosphere on the epitaxial growth process of La2Zr2O7 films on different substrates Ceramics International. ,vol. 39, pp. 829- 833 ,(2013) , 10.1016/J.CERAMINT.2012.07.004