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.

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页码：9823 / 9830

页数：8

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