Principal element design of pyrochlore-fluorite dual-phase medium- and high-entropy ceramics

doi:10.1016/j.jmst.2021.08.018

Abstract

Abstract:

Dual-phase rare-earth-zirconate high-entropy ceramics have gained significant research interest recently. However, the large composition complexity and serious lattice distortion from multi-components doping increase the uncertainty of their crystal structures. In this work, a series of dual-phase rare-earth-zirconate medium- and high-entropy ceramics are successfully fabricated. Results of this study indicate that these dual-phase ceramics are composed of pyrochlore and fluorite structures. Simultaneously, a principal element design criterion of the pyrochlore-fluorite dual-phase medium- and high-entropy ceramics is proposed. The phase structures of pyrochlore-fluorite dual-phase samples are co-determined by the average ionic radius ratio and the size disorder parameter. When the average ionic radius ratio is in the range of 1.4 to 1.5 and the size disorder parameter is larger than 5%, it is more inclined to form pyrochlore-fluorite dual-phase structure. This work has an important guiding significance to the composition design of pyrochlore-fluorite dual-phase medium- and high-entropy ceramics.

Key words: High-entropy ceramics, Principal element design, Pyrochlore-fluorite dual-phase, Rare earth zirconate

Wei Fan, Yu Bai, Yanfen Liu, Taotao Li, Binmao Li, Lei Zhang, Chenmin Gao, Shiyu Shan, Haocen Han. Principal element design of pyrochlore-fluorite dual-phase medium- and high-entropy ceramics[J]. J. Mater. Sci. Technol., 2022, 107: 149-154.

Figures/Tables 6

References 35

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Identifier	Materials	Phases	r_A/r_B	δ_r /%*	Lattice parameter (Å)	Content (%)
-	La₂Zr₂O₇	P	1.611	0	P: 10.808	P: 100
-	La₂(Zr_7/10Ce_3/10)₂O₇	P	1.516	8.99	P: 10.9056	P: 100
P1	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂Zr₂O₇	P	1.519	3.49	P: 10.6392	P: 100
D1	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂(Zr_9/10Ce_1/10)₂O₇	P+F	1.488	7.05	P: 10.6632	P: 93.26
					F: 5.3482	F: 6.74
D2	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂(Zr_7/10Ce_3/10)₂O₇	P+F	1.429	9.60	P: 10.7464	P: 55.63
					F: 5.354	F: 44.37
F1	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂(Zr_1/2Ce_1/2)₂O₇	F	1.375	10.06	F: 5.3976	F: 100
P2	(La_1/3Nd_1/3Gd_1/3)₂Zr₂O₇	P	1.538	3.95	P: 10.6832	P: 100
D3	(La_1/3Nd_1/3Gd_1/3)₂(Zr_7/10Ce_3/10)₂O₇	P+F	1.447	9.80	P: 10.7456	P: 60.19
					F: 5.4004	F: 39.81
F2	La₂Ce₂O₇	F	1.333	0	F: 5.5728	F: 100
F3	(La_1/3Nd_1/3Gd_1/3)₂Ce₂O₇	F	1.273	3.95	F: 5.5	F: 100
F4	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂Ce₂O₇	F	1.257	3.49	F: 5.4792	F: 100
D4	(La_1/3Gd_1/3Yb_1/3)₂Zr₂O₇	P+F	1.481	6.76	P: 10.6624	P: 47.67
					F: 5.2392	F: 52.33
D5	(La_1/4Nd_1/4Gd_1/4Yb_1/4)₂Zr₂O₇	P+F	1.495	6.05	P: 10.6192	P: 68.62
					F: 5.2432	F: 31.38
D6	(La_1/5Nd_1/5Sm_1/5Gd_1/5Yb_1/5)₂Zr₂O₇	P+F	1.496	5.40	P: 10.5968	P: 90.36
					F: 5.2428	F: 9.64
D7	(La_1/6Nd_1/6Sm_1/6Eu_1/6Gd_1/6Yb_1/6)₂Zr₂O₇	P+F	1.494	5.00	P: 10.5864	P: 93.20
					F: 5.2424	F: 6.80
D8	(La_3/20Nd_3/20Sm_3/20Eu_3/20Gd_3/20Yb_1/4)₂Zr₂O₇	P+F	1.481	5.38	P: 10.5832	P: 61.06
					F: 5.2512	F: 38.94
D9	(La_1/5Dy_1/5Y_1/5Yb_1/5Sc_1/5)₂Zr₂O₇	P+F	1.406	9.17	P: 10.4664	P: 27.32
					F: 5.1908	F: 72.68
P3	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂Hf₂O₇	P	1.540	3.49	P: 10.6352	P: 100

Identifier	Materials	Phases	r_A/r_B	δ_r /%*	Lattice parameter (Å)	Content (%)
-	La₂Zr₂O₇	P	1.611	0	P: 10.808	P: 100
-	La₂(Zr_7/10Ce_3/10)₂O₇	P	1.516	8.99	P: 10.9056	P: 100
P1	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂Zr₂O₇	P	1.519	3.49	P: 10.6392	P: 100
D1	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂(Zr_9/10Ce_1/10)₂O₇	P+F	1.488	7.05	P: 10.6632	P: 93.26
					F: 5.3482	F: 6.74
D2	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂(Zr_7/10Ce_3/10)₂O₇	P+F	1.429	9.60	P: 10.7464	P: 55.63
					F: 5.354	F: 44.37
F1	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂(Zr_1/2Ce_1/2)₂O₇	F	1.375	10.06	F: 5.3976	F: 100
P2	(La_1/3Nd_1/3Gd_1/3)₂Zr₂O₇	P	1.538	3.95	P: 10.6832	P: 100
D3	(La_1/3Nd_1/3Gd_1/3)₂(Zr_7/10Ce_3/10)₂O₇	P+F	1.447	9.80	P: 10.7456	P: 60.19
					F: 5.4004	F: 39.81
F2	La₂Ce₂O₇	F	1.333	0	F: 5.5728	F: 100
F3	(La_1/3Nd_1/3Gd_1/3)₂Ce₂O₇	F	1.273	3.95	F: 5.5	F: 100
F4	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂Ce₂O₇	F	1.257	3.49	F: 5.4792	F: 100
D4	(La_1/3Gd_1/3Yb_1/3)₂Zr₂O₇	P+F	1.481	6.76	P: 10.6624	P: 47.67
					F: 5.2392	F: 52.33
D5	(La_1/4Nd_1/4Gd_1/4Yb_1/4)₂Zr₂O₇	P+F	1.495	6.05	P: 10.6192	P: 68.62
					F: 5.2432	F: 31.38
D6	(La_1/5Nd_1/5Sm_1/5Gd_1/5Yb_1/5)₂Zr₂O₇	P+F	1.496	5.40	P: 10.5968	P: 90.36
					F: 5.2428	F: 9.64
D7	(La_1/6Nd_1/6Sm_1/6Eu_1/6Gd_1/6Yb_1/6)₂Zr₂O₇	P+F	1.494	5.00	P: 10.5864	P: 93.20
					F: 5.2424	F: 6.80
D8	(La_3/20Nd_3/20Sm_3/20Eu_3/20Gd_3/20Yb_1/4)₂Zr₂O₇	P+F	1.481	5.38	P: 10.5832	P: 61.06
					F: 5.2512	F: 38.94
D9	(La_1/5Dy_1/5Y_1/5Yb_1/5Sc_1/5)₂Zr₂O₇	P+F	1.406	9.17	P: 10.4664	P: 27.32
					F: 5.1908	F: 72.68
P3	(La_1/5Nd_1/5Sm_1/5Eu_1/5Gd_1/5)₂Hf₂O₇	P	1.540	3.49	P: 10.6352	P: 100