Surface termination of hematite at environmental oxygen pressures: Experimental surface phase diagram

被引：61

作者：

Barbier, A. ^{[1
]}

Stierle, A.

Kasper, N.

Guittet, M.-J.

Jupille, J.

机构：

[1] CEA Saclay, DSM DRECAM SPCSI, F-91191 Gif Sur Yvette, France

[2] Max Planck Inst Met Res, D-70569 Stuttgart, Germany

[3] Univ Paris 06, INSP, F-75015 Paris, France

[4] Univ Paris 07, CNRS, UMR 7588, F-75015 Paris, France

来源：

PHYSICAL REVIEW B | 2007年 / 75卷 / 23期

关键词：

D O I：

10.1103/PhysRevB.75.233406

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We provide an experimental surface phase diagram (surface termination versus chemical oxygen potential) of alpha-Fe2O3(0001) using a natural single crystal surface. In a partial reduction reoxidation cycle, we observe a sequence from oxygen-, to ferryl-, and again oxygen-terminated surfaces, in better agreement with recent density functional theory in the generalized gradient approximation calculations than with calculations taking into account on-site Fe 3d Coulomb repulsion. The nonreversible change in surface termination is accompanied by the formation of basal twins, which act as a sink for the extra Fe ions during the surface transformation processes.

引用

页数：4

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