NOVEL A15 PHASE IN BARIUM-DOPED FULLERITE

被引：48

作者：

KORTAN, AR ^{[1
]}

KOPYLOV, N ^{[1
]}

FLEMING, RM ^{[1
]}

ZHOU, O ^{[1
]}

THIEL, FA ^{[1
]}

HADDON, RC ^{[1
]}

RABE, KM ^{[1
]}

机构：

[1] YALE UNIV,DEPT APPL PHYS,NEW HAVEN,CT 06520

来源：

PHYSICAL REVIEW B | 1993年 / 47卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.47.13070

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A new stable compound Ba3C60 is reported in the Ba-C60 phase diagram. Rietveld refinement of x-ray powder diffraction data shows that this compound has the A 15 structure with a lattice constant of 11.34 angstrom. The Pm3nBAR space group implies a perfect alternating orientational order for the C60 molecules, not previously observed in doped fullerite structures. The relative stability of the A 15 phase over the fully intercalated fcc structure can be explained by a simple model involving the Madelung energy differences, orientation dependence of the C60-cation interaction energy, and distortion-induced relaxational energy gains.

引用

页码：13070 / 13073

页数：4

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