CHEMICAL-BOND AND ELECTRONIC STATES AT THE CAF2-SI(111) AND CA-SI(111) INTERFACES

被引：33
|
作者：
OSSICINI, S [1 ]
ARCANGELI, C [1 ]
BISI, O [1 ]
机构：
[1] UNIV TRENTO,DIPARTMENTO FIS,I-38050 TRENT,ITALY
来源：
PHYSICAL REVIEW B | 1991年 / 43卷 / 12期
关键词：
D O I：
10.1103/PhysRevB.43.9823
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The first stage of formation of the CaF2-Si(111) and Ca-Si(111) interfaces is studied through the employment of the surface linear-muffin-tin-orbital approach in the atomic-sphere approximation. The interfaces are simulated by monolayers of F-Ca and Ca on Si(111), respectively. Both valence- and core-electron states have been calculated: their analysis gives important information about the nature of the Ca-Si and Ca-F bonds. These results are successfully compared with the available experimental data. The importance of considering the Madelung contribution in the interpretation of surface-core-level shifts is pointed out.
引用
收藏
页码：9823 / 9830
页数：8
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