Defect formation energies in A2B2O7 pyrochlores

作者: Yan Li , Piotr M Kowalski , George Beridze , April R Birnie , Sarah Finkeldei

DOI: 10.1016/J.SCRIPTAMAT.2015.05.010

关键词:

摘要: … Frenkel pair defect formation energies for a series of pyrochlores. The obtained energies correlate … Frenkel pair defect formation energy is negative. This correlation suggests that the low …

参考文章(58)
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
N. Li, H. Y. Xiao, X. T. Zu, L. M. Wang, Rodney C. Ewing, Jie Lian, Fei Gao, First-principles study of electronic properties of La2Hf2O7 and Gd2Hf2O7 Journal of Applied Physics. ,vol. 102, pp. 063704- ,(2007) , 10.1063/1.2779262
Licia Minervini, Robin W. Grimes, Kurt E. Sickafus, Disorder in Pyrochlore Oxides Journal of the American Ceramic Society. ,vol. 83, pp. 1873- 1878 ,(2004) , 10.1111/J.1151-2916.2000.TB01484.X
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
Jie Lian, Jian Chen, L. M. Wang, Rodney C. Ewing, J. Matt Farmer, Lynn A. Boatner, K. B. Helean, Radiation-induced amorphization of rare-earth titanate pyrochlores Physical Review B. ,vol. 68, pp. 134107- ,(2003) , 10.1103/PHYSREVB.68.134107
Jianwei Wang, Rodney C Ewing, Udo Becker, Defect formation energy in pyrochlore: the effect of crystal size Materials Research Express. ,vol. 1, pp. 035501- ,(2014) , 10.1088/2053-1591/1/3/035501
Kiel Holliday, Sarah Finkeldei, Stefan Neumeier, Clemens Walther, Dirk Bosbach, Thorsten Stumpf, TRLFS of Eu3+ and Cm3+ doped La2Zr2O7: A comparison of defect fluorite to pyrochlore structures Journal of Nuclear Materials. ,vol. 433, pp. 479- 485 ,(2013) , 10.1016/J.JNUCMAT.2012.10.028
L. Clark, G. J. Nilsen, E. Kermarrec, G. Ehlers, K. S. Knight, A. Harrison, J. P. Attfield, B. D. Gaulin, From Spin Glass to Quantum Spin Liquid Ground States in Molybdate Pyrochlores Physical Review Letters. ,vol. 113, pp. 117201- ,(2014) , 10.1103/PHYSREVLETT.113.117201
A. E. Ringwood, S. E. Kesson, N. G. Ware, W. Hibberson, A. Major, Immobilisation of high level nuclear reactor wastes in SYNROC Nature. ,vol. 278, pp. 219- 223 ,(1979) , 10.1038/278219A0
R.C. Ewing, W.J. Weber, F.W. Clinard, Radiation effects in nuclear waste forms for high-level radioactive waste Progress in Nuclear Energy. ,vol. 29, pp. 63- 127 ,(1995) , 10.1016/0149-1970(94)00016-Y