Structures and Physical Properties of Rare-Earth Zinc Antimonides Pr6Zn1+xSb14+y and RE6Zn1+xSb14 (RE = Sm, Gd-Ho)

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	Structures and Physical Properties of Rare-Earth Zinc Antimonides Pr6Zn1+xSb14+y and RE6Zn1+xSb14 (RE = Sm, Gd-Ho)
	Liu, Yi ; Chen, Ling ; Li, Long-Hua ; Wu, Li-Ming ; Zelinska, Oksana Ya. ; Mar, Arthur ; Chen L(陈亮)
刊名	http://dx.doi.org/10.1021/ic800524d
	2008-12-15
关键词	PLANE-WAVE METHOD CRYSTAL-STRUCTURE LA-ND TRANSPORT-PROPERTIES ELECTRONIC-STRUCTURE RE12GA4SB23 RE PHONON-GLASS CE DY LA13GA8SB21
英文摘要	National Natural Science Foundation of China [20773130, 20521101, 20733003]; CAS [KJCX2-YW-H01, CXJJ-219]; FIRSM [SZD08002]; Major Programs of Science and Technology Foundation of Fujian Province [2007HZ00053]; Natural Sciences and Engineering Research Co; A new series of isostructural ternary rare-earth zinc antimonides RE(6)Zn(1+x)Sb(14+y) (RE = Pr, Sm, Gd-Ho) has been obtained by direct reaction of the elements at 1050-1100 degrees C. Single-crystal X-ray diffraction studies revealed that these compounds adopt an orthorhombic structure type (space group Immm, (no. 71), Z = 2, a = 4.28-4.11 angstrom, b = 15.15-14.73 angstrom, c = 19.13-18.56 angstrom in the progression from RE = Pr to Ho) that may be regarded as stuffed variants of a (U(0.5)Ho(0.5))(3)Sb(7)-type host structure. Columns of face-sharing RE(6) trigonal prisms, centered by Sb atoms, occupy channels defined by an extensive polyanionic Sb network. This network is constructed from three-atom-wide and four-atom-wide Sb strips, the latter being linked together by single Sb atoms in RE(6)Zn(1+x)Sb(14) (RE = Sm, Gd-Ho; y = 0), but also by additional Sb-Sb pairs in a disordered fashion in Pr(6)Zn(1+x)Sb(14+y) (y = similar to 0.6). Interstitial Zn atoms then partially fill tetrahedral sites (occupancy of 0.5-0.7) and, to a lesser extent, square pyramidal sites (occupancy of 0.04-0.12), accounting for the observed nonstoichiometry with variable x. Except for the Gd member, these compounds undergo antiferromagnetic ordering below T(N) < 9 K, with the magnetic susceptibilities of the Tb, Dy, and Ho members following the Curie-Weiss law above T(N). For the Ho member, the thermal conductivities are low and the Seebeck coefficients are small and positive, implying p-type character consistent with the occurrence of partial Zn occupancies. At low temperatures (down to 5 K), electrical resistivity measurements for the Tb, Dy, and Ho members indicated metallic behavior, which persists at high temperatures (up to 560 K) for the Ho member. Band structure calculations on an idealized "Gd(6)Zn(2)Sb(14)" model revealed the existence of a pseudogap near the Fermi level.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/65528]
专题	生命科学－已发表论文
推荐引用方式 GB/T 7714	Liu, Yi,Chen, Ling,Li, Long-Hua,et al. Structures and Physical Properties of Rare-Earth Zinc Antimonides Pr6Zn1+xSb14+y and RE6Zn1+xSb14 (RE = Sm, Gd-Ho)[J]. http://dx.doi.org/10.1021/ic800524d,2008.
APA	Liu, Yi.,Chen, Ling.,Li, Long-Hua.,Wu, Li-Ming.,Zelinska, Oksana Ya..,...&陈亮.(2008).Structures and Physical Properties of Rare-Earth Zinc Antimonides Pr6Zn1+xSb14+y and RE6Zn1+xSb14 (RE = Sm, Gd-Ho).http://dx.doi.org/10.1021/ic800524d.
MLA	Liu, Yi,et al."Structures and Physical Properties of Rare-Earth Zinc Antimonides Pr6Zn1+xSb14+y and RE6Zn1+xSb14 (RE = Sm, Gd-Ho)".http://dx.doi.org/10.1021/ic800524d (2008).