First-principles calculations of SiC(001) surface core level shifts

被引：19

作者：

Catellani, A

Galli, G

Gygi, F

机构：

[1] CNR, MASPEC, I-43100 Parma, Italy

[2] Inst Romand Rech Numer Phys Mat, CH-1015 Lausanne, Switzerland

来源：

APPLIED PHYSICS LETTERS | 1998年 / 72卷 / 15期

关键词：

D O I：

10.1063/1.121221

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We have computed chemical shifts of core levels at clean and defected Si-terminated SiC(001) surfaces, by carrying out total energy calculations within the local density approximation of density functional theory. Our results allow one to interpret measured Si 2p core level spectra and in particular to identify the nature of the different peaks observed experimentally. Furthermore, our findings point at ad-dimers as common defects on the Si-terminated SiC(001) surface. (C) 1998 American Institute of Physics.

引用

页码：1902 / 1904

页数：3

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