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

共 15 条

[1]

Alberts H. L., 1976, Journal of Magnetism and Magnetic Materials, V2, P327, DOI 10.1016/0304-8853(76)90044-5

[2] Structural characterization of divalent magnesium-doped α-Fe2O3 [J].

Berry, FJ ;

Bohorquez, A ;

Greaves, C ;

McManus, J ;

Moore, EA ;

Mortimer, M .

JOURNAL OF SOLID STATE CHEMISTRY, 1998, 140 (02) :428-430

[3] The structural characterization of tin- and titanium-doped alpha-Fe2O3 prepared by hydrothermal synthesis [J].

Berry, FJ ;

Greaves, C ;

McManus, JG ;

Mortimer, M ;

Oates, G .

JOURNAL OF SOLID STATE CHEMISTRY, 1997, 130 (02) :272-276

[4]

Berry FJ, 1999, SOLID STATE COMMUN, V109, P207, DOI 10.1016/S0038-1098(98)00494-3

[5] SELF-CONSISTENT INTERATOMIC POTENTIALS FOR THE SIMULATION OF BINARY AND TERNARY OXIDES [J].

BUSH, TS ;

GALE, JD ;

CATLOW, CRA ;

BATTLE, PD .

JOURNAL OF MATERIALS CHEMISTRY, 1994, 4 (06) :831-837

[6] DIELECTRIC CONSTANT OF CR2O3 CRYSTALS [J].

FANG, PH ;

BROWER, WS .

PHYSICAL REVIEW, 1963, 129 (04) :1561-&

[7] GULP: A computer program for the symmetry-adapted simulation of solids [J].

Gale, JD .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1997, 93 (04) :629-637

[8]

LUSOVSKY G, 1977, PHYS REV B, V16, P5452

[9] Experimental and computational study of the gas-sensor behaviour and surface chemistry of the solid-solution Cr2-xTixO3 (x≤0.5) [J].

Niemeyer, D ;

Williams, DE ;

Smith, P ;

Pratt, KFE ;

Slater, B ;

Catlow, CRA ;

Stoneham, AM .

JOURNAL OF MATERIALS CHEMISTRY, 2002, 12 (03) :667-675

[10]

OHARI S, 1977, PHYS REV B, V16, P1717

← 1 2 →