Supercluster quantum-chemical approach to the Si(111)7x7 surface. 2. Charge and spin distribution

被引：0

作者：

Khavryutchenko, V ^{[1
]}

Sheka, E

Huang, DH

Aono, M

机构：

[1] Joint Inst Nucl Res, Frank Lab Neutron Phys, Dubna 141980, Moscow District, Russia

[2] Ukrainian Acad Sci, Inst Surface Chem, UA-252028 Kiev, Ukraine

[3] Russian Peoples Friendship Univ, Moscow 117302, Russia

[4] JST, ERATO, Aono Atomcraft Project, Tsukuba, Ibaraki 30026, Japan

[5] JST, ERATO, Yamamoto Quantum Fluctuat Project, Musashino, Tokyo 180, Japan

[6] Inst Phys & Chem Res, RIKEN, Wako, Saitama 351, Japan

[7] Osaka Univ, Dept Precis Sci & Technol, Suita, Osaka 565, Japan

来源：

PHYSICS OF LOW-DIMENSIONAL STRUCTURES | 1998年 / 3-4卷

关键词：

D O I：

暂无

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The paper continues to present the results of an extended quantum-chemical study of the Si(111)7 x 7 surface unit cell. It addresses the charge and spin density distributions over the unit cell atoms while the previous paper, Part I(Phys. Low-Dim.Struct., 11/12 (1996) 1) was related to the surface reconstruction motives as well as to energy and structure of different equilibrium configurations. Two lowest-energy configurations related to the triplet and singlet spin states and full consistent with the DAS model are analyzed in the study. A ferromagnetic behaviour of the triplet configuration is discussed.

引用

页码：81 / 106

页数：26

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