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

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.

Авторы
Khavryutchenko V.1, 2 , Sheka E. 3 , Huang D.H.4, 5 , Aono M.4, 6, 7
Редакторы
-
Издательство
-
Номер выпуска
3-4
Язык
Английский
Страницы
81-106
Статус
Опубликовано
Подразделение
-
DOI
-
Номер
-
Том
1998
Год
1998
Организации
  • 1 Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna, Moscow district, 141980, Russian Federation
  • 2 Institute of Surface Chemistry, Natl. Acad. of Sci. of the Ukraine, 31 Nauki prospect, Kiev, 252028, Ukraine
  • 3 Russ. Peoples' Friendship University, 3 Ordjonikidze str., Moscow, 117302, Russian Federation
  • 4 Aono Atomcraft Project, ERATO, JST, 5-9-9 Tohkohdai, Tsukuba-shi, Ibaraki 300-26, Japan
  • 5 Yamamoto Quantum Fluctuation Project, ERATO, JST, 3-9-11 Midoricho, Mussashino, Tokyo 180, Japan
  • 6 Inst. of Phys. and Chemical Research, Hirosawa 2-1, Wako-shi, Saitama 351, Japan
  • 7 Dept. of Prec. Sci. and Technology, Osaka University, Suita, Osaka 565, Japan
Ключевые слова
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Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/627/