期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 16, 期 17, 页码 S1721-S1732出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/16/17/014
关键词
-
The possibility is discussed that, independent of the polytype, large electronic correlation effects give rise to semiconducting SiC surfaces with [111] or [0001] orientations. The most important surface translational symmetries (root3 x root3)R30degrees and 3 x 3 are considered. The discussion is based on the detailed knowledge of the surface atomic geometries and the electronic structures derived for these geometries using a local density approximation for exchange and correlation. It is argued that the resulting half-filled, weakly dispersive dangling-bond bands within the fundamental gaps are split according to a Hubbard interaction parameter U, and that the surface systems undergo a Mott-Hubbard transition. Such a physical picture provides a qualitatively correct account of the single-particle excitation spectra either inferred from angle-resolved photoemission and inverse photoemission experiments or obtained from scanning tunnelling spectroscopy. The gap opening and hence the Hubbard U parameter are discussed in terms of their dependence on the surface reconstruction as well as the SiC polytype.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据