Synthesis, Structure and Charge Transport Properties of Yb(5)A(12)Sb(6):   A Zintl Phase with Incomplete Electron Transfer

doi:10.1021/ic900035a

CORC > 北京大学 > 化学与分子工程学院

	Synthesis, Structure and Charge Transport Properties of Yb(5)A(12)Sb(6): A Zintl Phase with Incomplete Electron Transfer
	Todorov, Iliya ; Chung, Duck Young ; Ye, Linhui ; Freeman, Arthur J. ; Kanatzidis, Mercouri G.
刊名	inorganic chemistry
	2009
关键词	PLANE-WAVE METHOD THERMOELECTRIC PROPERTIES POLAR INTERMETALLICS MAGNETIC-PROPERTIES EARTH CHAINS FLUX SR CS SB
DOI	10.1021/ic900035a
英文摘要	We report the synthesis, structure, spectroscopic properties, charge and thermal transport, and electronic structure of a new member of the Zintl family, Yb(5)A(12)Sb(6). The compound crystallizes in the Ba5Al2Bi6 structure type and requires the addition of Ge or Si in the synthesis, which years to act as a catalyst. Yb(5)A(12)Sb(6) has an anisotropic structure with infinite anionic double chains cross-linked by Yb2+ ions. Polycrystalline ingots of Yb(5)A(12)Sb(6) prepared in the presence of 0.5 mol equiv of Ge showed room-temperature conductivity, thermopower, and thermal conductivity of similar to 1100 S/cm, similar to 20 mu V/K, and similar to 3.8 W/m . K, respectively. Investigations of other solid solutions of Yb(5)A(12)Sb(6), doping effects, and chemical modifications are discussed. Sr only partially replaces Yb in the structure leading to Sr0.85Yb4.15Al2Sb6. Electronic structure calculations performed using a highly precise full-potential linearized augmented plane wave method within the density functional theory scheme show the presence of a negative band gap and suggest incomplete electron transfer and a metallic character to the compound.; Chemistry, Inorganic & Nuclear; SCI(E); 24; ARTICLE; 11; 4768-4776; 48
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/245757]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Todorov, Iliya,Chung, Duck Young,Ye, Linhui,et al. Synthesis, Structure and Charge Transport Properties of Yb(5)A(12)Sb(6): A Zintl Phase with Incomplete Electron Transfer[J]. inorganic chemistry,2009.
APA	Todorov, Iliya,Chung, Duck Young,Ye, Linhui,Freeman, Arthur J.,&Kanatzidis, Mercouri G..(2009).Synthesis, Structure and Charge Transport Properties of Yb(5)A(12)Sb(6): A Zintl Phase with Incomplete Electron Transfer.inorganic chemistry.
MLA	Todorov, Iliya,et al."Synthesis, Structure and Charge Transport Properties of Yb(5)A(12)Sb(6): A Zintl Phase with Incomplete Electron Transfer".inorganic chemistry (2009).