Tin-, titanium-, and magnesium-doped α-Cr2O3:: characterisation and rationalisation of the structures

被引：25

作者：

Ayub, I ^{[1
]}

Berry, FJ ^{[1
]}

Johnson, C ^{[1
]}

Johnson, DA ^{[1
]}

Moore, EA ^{[1
]}

Ren, XL ^{[1
]}

Widatallah, HM ^{[1
]}

机构：

[1] Open Univ, Dept Chem, Milton Keynes MK7 6AA, Bucks, England

来源：

SOLID STATE COMMUNICATIONS | 2002年 / 123卷 / 3-4期

关键词：

alpha-Cr2O3; structure of doped alpha-Cr2O3;

D O I：

10.1016/S0038-1098(02)00213-2

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Tin- and titanium-doped alpha-Cr2O3 have been prepared by the calcination of precipitates. Rietveld structure refinement of the X-ray powder diffraction patterns shows that the dopant metals occupy interstitial sites and partially substitute on octahedral chromium sites in the corundum-related alpha-Cr2O3 structure. Interatomic potential calculations show that such defects are energetically more favourable than the exclusive substitution of chromium or the occupation by the dopant of interstitial sites in alpha-Cr2O3 with charge balance being achieved by an appropriate number of cation vacancies. However, the attempted incorporation of magnesium within alpha-Cr2O3 results in the formation of spinel-related MgCr2O4. The observation is rationalised in terms of the greater thermodynamic stability of the spinel-related structure. (C) 2002 Elsevier Science Ltd. All rights reserved.

引用

页码：141 / 145

页数：5

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