journal article·2023-06

Probing local site disorder in zirconate pyrochlores

Fengai Zhao, Shuanglin Hu, Canhui Xu, Haiyan Xiao, Xiaosong Zhou, Xiaotao Zu, Shuming Peng

Ceramics International· Volume 49· Issue 11
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OpenAlex topics: Nuclear materials and radiation effects · Advanced Condensed Matter Physics · Radioactive element chemistry and processing

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References (44)

Show source-provided references
1. Oxide pyrochlores-a review10.1016/0079-6786(83)90001-8 ↗
2. Systematics of the pyrochlore structure type, ideal A2B2X6Y10.1016/0022-4596(84)90234-2 ↗
3. Intricate disorder in defect fluorite/pyrochlore: a concord of chemistry and crystallography10.1038/s41598-017-02787-w ↗
4. Order–disorder transition in the Nd2−yYyZr2O7 system: probed by X-ray diffraction and Raman spectroscopy10.1016/j.jssc.2009.10.010 ↗
5. The oxygen positional parameter in pyrochlores and its dependence on disorder10.1080/01418610208240001 ↗
6. Structural vs. intrinsic carriers: contrasting effects of cation chemistry and disorder on ionic conductivity in pyrochlores10.1039/C5TA01692D ↗
7. Predicted pyrochlore to fluorite disorder temperature for A2Zr2O7 compositions10.1557/JMR.2004.0231 ↗
8. Radiation effects in nuclear waste forms for high-level radioactive waste10.1016/0149-1970(94)00016-Y ↗
9. Tunability of structure from ordered to disordered and its impact on ionic conductivity behavior in the Nd2−yHoyZr2O7 (0.0 ≤ y ≤ 2.0) system10.1039/c2ra20458d ↗
10. Massively enhanced ionic transport in irradiated crystalline pyrochlore10.1039/C8TA10967B ↗
11. High ionic conductivity in the pyrochlore-type Gd2−yLayZr2O7 solid solution (0 ≤ y ≤ 1)10.1016/j.ssi.2008.07.015 ↗
12. Fast-ion conducting Y2(ZrTi)2O7 pyrochlores: neutron rietveld analysis of disorder induced by Zr substitution10.1006/jssc.1995.1253 ↗
13. Radiation tolerance of complex oxides10.1126/science.289.5480.748 ↗
14. Nuclear waste disposal-pyrochlore (A2B2O7): nuclear waste form for the immobilization of plutonium and “minor” actinides10.1063/1.1707213 ↗
15. Structural modifications of Gd2Zr2-xTixO7 pyrochlore induced by swift heavy ions: disordering and amorphization10.1557/jmr.2009.0151 ↗
16. Review of A2B2O7 pyrochlore response to irradiation and pressure10.1016/j.nimb.2010.05.016 ↗
17. Radiation-induced amorphization resistance and radiation tolerance in structurally related oxides10.1038/nmat1842 ↗
18. Spin liquids in frustrated magnets10.1038/nature08917 ↗
19. From spin glass to quantum spin liquid ground states in molybdate pyrochlores10.1103/PhysRevLett.113.117201 ↗
20. Quantum spin ice: a search for gapless quantum spin liquids in pyrochlore magnets10.1088/0034-4885/77/5/056501 ↗
21. Spin ice, fractionalization, and topological order10.1146/annurev-conmatphys-020911-125058 ↗
22. The crystallography of correlated disorder10.1038/nature14453 ↗
23. Predicting short-range order and correlated phenomena in disordered crystalline materials
24. Probing disorder in isometric pyrochlore and related complex oxides10.1038/nmat4581 ↗
25. The pyrochlore to ‘defect fluorite’ transition in the Y2(ZryTi1−y)2O7 system and its underlying crystal chemistry10.1016/j.jssc.2004.09.014 ↗
26. Composition dependent order-disorder transition in NdZr1−xO2−0.5 pyrochlores: a combined structural, calorimetric and ab initio modeling study10.1016/j.actamat.2016.11.059 ↗
27. Similar local order in disordered fluorite and aperiodic pyrochlore structures10.1016/j.actamat.2017.10.044 ↗
28. First-principles study on the stability of weberite-type, pyrochlore, and defect-fluorite structures of A23+B24+O7 (A = Lu3+ – La3+, B = Zr4+, Hf4+, Sn4+, and Ti4+)10.1021/acs.jpcc.0c05443 ↗
29. Formation enthalpy of Ln2B2O7-type (B = Ti, Sn, Hf, Zr) compounds10.1016/j.scriptamat.2020.07.048 ↗
30. ChemInform abstract: ab-initio simulations of materials using VASP: density-functional theory and beyond10.1002/chin.200847275 ↗
31. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
32. Generalized gradient approximation for the exchange-correlation hole of a many-electron system10.1103/PhysRevB.54.16533 ↗
33. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
34. A DFT study of mechanical properties, thermal conductivity and electronic structures of Th-doped Gd2Zr2O710.1016/j.actamat.2016.09.018 ↗
35. Effects of doping Yb3+, La3+, Ti4+, Hf4+, Ce4+ cations on the mechanical properties, thermal conductivity, and electronic structures of Gd2Zr2O710.1016/j.jallcom.2018.10.240 ↗
36. The role of low-lying optical phonons in lattice thermal conductance of rare-earth pyrochlores: a first-principle study10.1016/j.actamat.2015.03.004 ↗
37. VASPKIT: a user-friendly interface facilitating high-throughput computing and analysis using VASP code10.1016/j.cpc.2021.108033 ↗
38. A climbing image nudged elastic band method for finding saddle points and minimum energy paths10.1063/1.1329672 ↗
39. Defect formation energies in A2B2O7 pyrochlores10.1016/j.scriptamat.2015.05.010 ↗
40. The pyrochlore to defect fluorite phase transition in Y2Sn2−xZrxO710.1039/c3ra22704a ↗
41. Plane nets in crystal chemistry10.1098/rsta.1980.0150 ↗
42. Distortion-stabilized ordered structures in A2BB’O7 mixed pyrochlores10.1038/s41524-018-0144-1 ↗
43. First-principles prediction of disordering tendencies in pyrochlore oxides10.1103/PhysRevB.79.104203 ↗
44. First-principles calculation of defect-formation energies in the Y2(Ti,Sn,Zr)2O7 pyrochlore10.1103/PhysRevB.70.054110 ↗